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

Systemtic Name: ethyl 3-[3-[(4-chlorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoate Openeye Name: ethyl 3-[3-[(4-chlorophenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoate CAS Name: 3-[3-[[(4-chloroanilino)-oxomethyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[(4-chlorophenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoate Traditional Name: 3-[3-[(4-chlorophenyl)carbamoylamino]-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]propionic acid ethyl ester Formula: C27H25ClN4O4 MolecularWeight: 504.9648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H25ClN4O4/c1-2-36-23(33)16-17-32-22-11-7-6-10-21(22)24(18-8-4-3-5-9-18)30-25(26(32)34)31-27(35)29-20-14-12-19(28)13-15-20/h3-15,25H,2,16-17H2,1H3,(H2,29,31,35)