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

Systemtic Name: [3-(4-cyanophenyl)-7-methyl-6,8-bis(oxidanylidene)-2-(phenylmethyl)isoquinolin-7-yl] 3-phenylpropanoate Openeye Name: [2-benzyl-3-(4-cyanophenyl)-7-methyl-6,8-dioxo-7-isoquinolyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-2-(phenylmethyl)-7-isoquinolinyl] ester IUPAC Name: [2-benzyl-3-(4-cyanophenyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-benzyl-3-(4-cyanophenyl)-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C33H26N2O4 MolecularWeight: 514.57054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3=CC=CC=C3)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)CC3=CC=CC=C3)C4=CC=C(C=C4)C#N)OC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C33H26N2O4/c1-33(39-31(37)17-14-23-8-4-2-5-9-23)30(36)19-27-18-29(26-15-12-24(20-34)13-16-26)35(22-28(27)32(33)38)21-25-10-6-3-7-11-25/h2-13,15-16,18-19,22H,14,17,21H2,1H3