2-{2-[4-(3-{[(11as)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione (Q27461270)

CID45480142 (English)

19 October 2016

chemical formula

C₃₄H₃₉N₅O₅

1 reference

CID45480142 (English)

19 October 2016

canonical SMILES

COC1=C(C=C2C(=C1)C(=O)N3CCCC3CN2)OCCCN4CCN(CC4)CCN5C(=O)C6=CC=CC7=C6C(=CC=C7)C5=O

1 reference

CID45480142 (English)

19 October 2016

isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3CN2)OCCCN4CCN(CC4)CCN5C(=O)C6=CC=CC7=C6C(=CC=C7)C5=O

1 reference

CID45480142 (English)

InChI=1S/C34H39N5O5/c1-43-29-20-27-28(35-22-24-8-4-12-38(24)34(27)42)21-30(29)44-19-5-11-36-13-15-37(16-14-36)17-18-39-32(40)25-9-2-6-23-7-3-10-26(31(23)25)33(39)41/h2-3,6-7,9-10,20-21,24,35H,4-5,8,11-19,22H2,1H3/t24-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CID45480142 (English)

XTTOPRBRXFADJO-DEOSSOPVSA-N

19 October 2016

InChIKey

1 reference

CID45480142 (English)

19 October 2016

1 reference

2-{2-[4-(3-{[(11aS)-7-Methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)-1-piperazinyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione (English)

19 October 2016

2 references