3-(1H-indol-2-ylmethyl)-1-methyl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepine

Systemtic Name: 3-(1H-indol-2-ylmethyl)-1-methyl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepine Openeye Name: 3-(1H-indol-2-ylmethyl)-1-methyl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepine CAS Name: 3-(1H-indol-2-ylmethyl)-1-methyl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepine IUPAC Name: 3-(1H-indol-2-ylmethyl)-1-methyl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepine Traditional Name: 3-(1H-indol-2-ylmethyl)-1-methyl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepine Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(N=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)CC4=CC5=CC=CC=C5N4

Isomeric SMILES

CN1CC(N=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)CC4=CC5=CC=CC=C5N4

InChI

InChI=1S/C25H22N4O2/c1-28-16-20(14-19-13-18-9-5-6-10-23(18)26-19)27-25(17-7-3-2-4-8-17)22-15-21(29(30)31)11-12-24(22)28/h2-13,15,20,26H,14,16H2,1H3