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

Systemtic Name: ethyl 3-[7-[(4-cyanophenyl)methoxy]-1-methyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-[7-[(4-cyanophenyl)methoxy]-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate CAS Name: 3-[7-[(4-cyanophenyl)methoxy]-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-[(4-cyanophenyl)methoxy]-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate Traditional Name: 3-[7-(4-cyanobenzyl)oxy-2,5-diketo-1-methyl-3H-1,4-benzodiazepin-4-yl]propionic acid ethyl ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5/c1-3-30-22(28)10-11-26-14-21(27)25(2)20-9-8-18(12-19(20)23(26)29)31-15-17-6-4-16(13-24)5-7-17/h4-9,12H,3,10-11,14-15H2,1-2H3