3-[[2-(4-bromophenyl)-1-oxoethyl]amino]-3-[4-[(4-fluorophenyl)methylamino]-3-nitrophenyl]propanamide (Q27207711)

MLS000420607 (English)

11 October 2016

chemical formula

C₂₄H₂₂BrFN₄O₄

1 reference

MLS000420607 (English)

11 October 2016

canonical SMILES

C1=CC(=CC=C1CC(=O)NC(CC(=O)N)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)F)[N+](=O)[O-])Br

1 reference

MLS000420607 (English)

InChI=1S/C24H22BrFN4O4/c25-18-6-1-15(2-7-18)11-24(32)29-21(13-23(27)31)17-5-10-20(22(12-17)30(33)34)28-14-16-3-8-19(26)9-4-16/h1-10,12,21,28H,11,13-14H2,(H2,27,31)(H,29,32)

11 October 2016

Identifiers

InChI

1 reference

MLS000420607 (English)

IIRGMCJEZDOTOB-UHFFFAOYSA-N

11 October 2016

InChIKey

2 references

MLS000420607 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-{[(4-Bromophenyl)acetyl]amino}-3-{4-[(4-fluorobenzyl)amino]-3-nitrophenyl}propanamide (English)

11 October 2016

2 references

MLS000420607 (English)

matched by identifier from

11 October 2016

InChIKey

IIRGMCJEZDOTOB-UHFFFAOYSA-N

ChEBI ID

119935

mapping relation type

2 references

3-[[2-(4-bromophenyl)-1-oxoethyl]amino]-3-[4-[(4-fluorophenyl)methylamino]-3-nitrophenyl]propanamide (English)

matched by identifier from

11 October 2016

International Chemical Identifier

InChI

InChI=1S/C24H22BrFN4O4/c25-18-6-1-15(2-7-18)11-24(32)29-21(13-23(27)31)17-5-10-20(22(12-17)30(33)34)28-14-16-3-8-19(26)9-4-16/h1-10,12,21,28H,11,13-14H2,(H2,27,31)(H,29,32)

1 reference