2-[(2,4-dimethylphenyl)methyl]-8-methyl-3-[4-(phenylmethyl)phenyl]isoquinolin-1-one

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl]-8-methyl-3-[4-(phenylmethyl)phenyl]isoquinolin-1-one Openeye Name: 3-(4-benzylphenyl)-2-[(2,4-dimethylphenyl)methyl]-8-methyl-isoquinolin-1-one CAS Name: 2-[(2,4-dimethylphenyl)methyl]-8-methyl-3-[4-(phenylmethyl)phenyl]-1-isoquinolinone IUPAC Name: 3-(4-benzylphenyl)-2-[(2,4-dimethylphenyl)methyl]-8-methylisoquinolin-1-one Traditional Name: 3-(4-benzylphenyl)-2-(2,4-dimethylbenzyl)-8-methyl-isocarbostyril Formula: C32H29NO MolecularWeight: 443.57876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C(=CC3=C(C2=O)C(=CC=C3)C)C4=CC=C(C=C4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C(=CC3=C(C2=O)C(=CC=C3)C)C4=CC=C(C=C4)CC5=CC=CC=C5)C

InChI

InChI=1S/C32H29NO/c1-22-12-15-29(24(3)18-22)21-33-30(20-28-11-7-8-23(2)31(28)32(33)34)27-16-13-26(14-17-27)19-25-9-5-4-6-10-25/h4-18,20H,19,21H2,1-3H3