ethyl 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(m-tolylcarbamoylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[2-keto-3-(m-tolylcarbamoylamino)-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O4/c1-3-35-23(32)17-31-22-15-8-7-14-21(22)24(19-11-5-4-6-12-19)29-25(26(31)33)30-27(34)28-20-13-9-10-18(2)16-20/h4-16,25H,3,17H2,1-2H3,(H2,28,30,34)