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

Systemtic Name: ethyl 2-[3-[(4-chlorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[(4-chlorophenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[3-[[(4-chloroanilino)-oxomethyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(4-chlorophenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[3-[(4-chlorophenyl)carbamoylamino]-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C26H23ClN4O4 MolecularWeight: 490.93822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN4O4/c1-2-35-22(32)16-31-21-11-7-6-10-20(21)23(17-8-4-3-5-9-17)29-24(25(31)33)30-26(34)28-19-14-12-18(27)13-15-19/h3-15,24H,2,16H2,1H3,(H2,28,30,34)