1-(3-azanylpropyl)-3-(1H-indol-3-ylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-(3-azanylpropyl)-3-(1H-indol-3-ylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(3-aminopropyl)-3-(1H-indol-3-ylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-(3-aminopropyl)-3-(1H-indol-3-ylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(3-aminopropyl)-3-(1H-indol-3-ylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-(3-aminopropyl)-3-(1H-indol-3-ylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C27H26N4O MolecularWeight: 422.52154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CCCN)CC4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CCCN)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H26N4O/c28-15-8-16-31-25-14-7-5-12-22(25)26(19-9-2-1-3-10-19)30-24(27(31)32)17-20-18-29-23-13-6-4-11-21(20)23/h1-7,9-14,18,24,29H,8,15-17,28H2