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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC(C(=O)N2C3=CC=CC=C3C(=O)O)CC4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C(=C1)C=NC(C(=O)N2C3=CC=CC=C3C(=O)O)CC4=CNC5=CC=CC=C54

InChI

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