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2-[3-(1H-indol-3-ylmethyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl]benzoic acid

2-[3-(1H-indol-3-ylmethyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl]benzoic acid

Systemtic Name:2-[3-(1H-indol-3-ylmethyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl]benzoic acid
Openeye Name:2-[3-(1H-indol-3-ylmethyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]benzoic acid
CAS Name:2-[3-(1H-indol-3-ylmethyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]benzoic acid
IUPAC Name:2-[3-(1H-indol-3-ylmethyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]benzoic acid
Traditional Name:2-[3-(1H-indol-3-ylmethyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-5-yl]benzoic acid
Formula: C25H19N3O3
MolecularWeight: 409.43666
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=CC=CC=C32)CC4=CNC5=CC=CC=C54)C(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=CC=CC=C32)CC4=CNC5=CC=CC=C54)C(=O)O


InChI

InChI=1S/C25H19N3O3/c29-24-22(13-15-14-26-20-11-5-3-7-16(15)20)27-23(19-10-4-6-12-21(19)28-24)17-8-1-2-9-18(17)25(30)31/h1-12,14,22,26H,13H2,(H,28,29)(H,30,31)


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