2-[3-(1H-indol-2-ylcarbonylamino)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(1H-indol-2-ylcarbonylamino)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(1H-indole-2-carbonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[3-[[1H-indol-2-yl(oxo)methyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[3-(1H-indole-2-carbonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[3-(1H-indole-2-carbonylamino)-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C26H20N4O4 MolecularWeight: 452.4614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)O)NC(=O)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)O)NC(=O)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C26H20N4O4/c31-22(32)15-30-21-13-7-5-11-18(21)23(16-8-2-1-3-9-16)28-24(26(30)34)29-25(33)20-14-17-10-4-6-12-19(17)27-20/h1-14,24,27H,15H2,(H,29,33)(H,31,32)