[3-(4-cyanophenyl)-2-cyclohexyl-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] 3-phenylpropanoate

Systemtic Name: [3-(4-cyanophenyl)-2-cyclohexyl-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] 3-phenylpropanoate Openeye Name: [3-(4-cyanophenyl)-2-cyclohexyl-7-methyl-6,8-dioxo-7-isoquinolyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-(4-cyanophenyl)-2-cyclohexyl-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-(4-cyanophenyl)-2-cyclohexyl-7-methyl-6,8-dioxoisoquinolin-7-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [3-(4-cyanophenyl)-2-cyclohexyl-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C32H30N2O4 MolecularWeight: 506.5916

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3CCCCC3)C4=CC=C(C=C4)C#N)OC(=O)CCC5=CC=CC=C5

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3CCCCC3)C4=CC=C(C=C4)C#N)OC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C32H30N2O4/c1-32(38-30(36)17-14-22-8-4-2-5-9-22)29(35)19-25-18-28(24-15-12-23(20-33)13-16-24)34(21-27(25)31(32)37)26-10-6-3-7-11-26/h2,4-5,8-9,12-13,15-16,18-19,21,26H,3,6-7,10-11,14,17H2,1H3