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

Systemtic Name: ethyl 3-[7-[(4-cyanophenyl)methoxy]-1-cyclohexyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-[7-[(4-cyanophenyl)methoxy]-1-cyclohexyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate CAS Name: 3-[7-[(4-cyanophenyl)methoxy]-1-cyclohexyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-[(4-cyanophenyl)methoxy]-1-cyclohexyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate Traditional Name: 3-[7-(4-cyanobenzyl)oxy-1-cyclohexyl-2,5-diketo-3H-1,4-benzodiazepin-4-yl]propionic acid ethyl ester Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)OCC3=CC=C(C=C3)C#N)C4CCCCC4

Isomeric SMILES

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)OCC3=CC=C(C=C3)C#N)C4CCCCC4

InChI

InChI=1S/C28H31N3O5/c1-2-35-27(33)14-15-30-18-26(32)31(22-6-4-3-5-7-22)25-13-12-23(16-24(25)28(30)34)36-19-21-10-8-20(17-29)9-11-21/h8-13,16,22H,2-7,14-15,18-19H2,1H3