(3S)-7-chloranyl-3-(1H-indol-3-ylmethyl)-5-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: (3S)-7-chloranyl-3-(1H-indol-3-ylmethyl)-5-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: (3S)-1-benzyl-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: (3S)-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: (3S)-1-benzyl-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: (3S)-1-benzyl-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C31H24ClN3O MolecularWeight: 489.99476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(=NC(C2=O)CC4=CNC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(=N[C@H](C2=O)CC4=CNC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C31H24ClN3O/c32-24-15-16-29-26(18-24)30(22-11-5-2-6-12-22)34-28(17-23-19-33-27-14-8-7-13-25(23)27)31(36)35(29)20-21-9-3-1-4-10-21/h1-16,18-19,28,33H,17,20H2/t28-/m0/s1