3-[[(3,5-dimethylphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-[[(3,5-dimethylphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenyl-isoquinolin-1-one Openeye Name: 3-[[(3,5-dimethylphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenyl-isoquinolin-1-one CAS Name: 3-[[(3,5-dimethylphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenyl-1-isoquinolinone IUPAC Name: 3-[[(3,5-dimethylphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one Traditional Name: 3-[[(3,5-dimethylbenzyl)amino]methyl]-2,6,7-trimethyl-4-phenyl-isocarbostyril Formula: C28H30N2O MolecularWeight: 410.5506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CNCC2=C(C3=CC(=C(C=C3C(=O)N2C)C)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)CNCC2=C(C3=CC(=C(C=C3C(=O)N2C)C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C28H30N2O/c1-18-11-19(2)13-22(12-18)16-29-17-26-27(23-9-7-6-8-10-23)24-14-20(3)21(4)15-25(24)28(31)30(26)5/h6-15,29H,16-17H2,1-5H3