ethyl 3-[1-(4-chlorophenyl)-7-[2-(4-cyanophenyl)ethynyl]-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate

Systemtic Name: ethyl 3-[1-(4-chlorophenyl)-7-[2-(4-cyanophenyl)ethynyl]-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-[1-(4-chlorophenyl)-7-[2-(4-cyanophenyl)ethynyl]-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate CAS Name: 3-[1-(4-chlorophenyl)-7-[2-(4-cyanophenyl)ethynyl]-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-(4-chlorophenyl)-7-[2-(4-cyanophenyl)ethynyl]-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate Traditional Name: 3-[1-(4-chlorophenyl)-7-[2-(4-cyanophenyl)ethynyl]-2,5-diketo-3H-1,4-benzodiazepin-4-yl]propionic acid ethyl ester Formula: C29H22ClN3O4 MolecularWeight: 511.95568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)C#CC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)C#CC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H22ClN3O4/c1-2-37-28(35)15-16-32-19-27(34)33(24-12-10-23(30)11-13-24)26-14-9-21(17-25(26)29(32)36)6-3-20-4-7-22(18-31)8-5-20/h4-5,7-14,17H,2,15-16,19H2,1H3