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

Systemtic Name: 2-[3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]ethanoic acid Openeye Name: 2-[3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]acetic acid CAS Name: 2-[3-[[[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-[3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]acetic acid Traditional Name: 2-[3-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]acetic acid Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O4/c1-29-20-13-6-5-12-19(20)22(17-9-3-2-4-10-17)27-23(24(29)32)28-25(33)26-18-11-7-8-16(14-18)15-21(30)31/h2-14,23H,15H2,1H3,(H,30,31)(H2,26,28,33)