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

Systemtic Name: methyl 3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]benzoate Openeye Name: methyl 3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]benzoate CAS Name: 3-[[[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]benzoate Traditional Name: 3-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]benzoic acid methyl ester 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)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O4/c1-29-20-14-7-6-13-19(20)21(16-9-4-3-5-10-16)27-22(23(29)30)28-25(32)26-18-12-8-11-17(15-18)24(31)33-2/h3-15,22H,1-2H3,(H2,26,28,32)