N-[3-(diethylamino)propyl]-2-[9-(3-methoxy-4-nitro-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]ethanamide

Systemtic Name: N-[3-(diethylamino)propyl]-2-[9-(3-methoxy-4-nitro-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]ethanamide Openeye Name: N-[3-(diethylamino)propyl]-2-[9-(3-methoxy-4-nitro-phenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]acetamide CAS Name: N-[3-(diethylamino)propyl]-2-[9-(3-methoxy-4-nitrophenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]acetamide IUPAC Name: N-[3-(diethylamino)propyl]-2-[9-(3-methoxy-4-nitrophenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]acetamide Traditional Name: N-[3-(diethylamino)propyl]-2-[6-keto-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]acetamide Formula: C29H33N5O5 MolecularWeight: 531.60282

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=O)CC1=CC2=C(C=C1)NC3=C(C=CC(=C3)C4=CC(=C(C=C4)[N+](=O)[O-])OC)C(=O)N2

Isomeric SMILES

CCN(CC)CCCNC(=O)CC1=CC2=C(C=C1)NC3=C(C=CC(=C3)C4=CC(=C(C=C4)[N+](=O)[O-])OC)C(=O)N2

InChI

InChI=1S/C29H33N5O5/c1-4-33(5-2)14-6-13-30-28(35)16-19-7-11-23-25(15-19)32-29(36)22-10-8-20(17-24(22)31-23)21-9-12-26(34(37)38)27(18-21)39-3/h7-12,15,17-18,31H,4-6,13-14,16H2,1-3H3,(H,30,35)(H,32,36)