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

Systemtic Name: 3-[[(2-chlorophenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenyl-isoquinolin-1-one Openeye Name: 3-[[(2-chlorophenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenyl-isoquinolin-1-one CAS Name: 3-[[(2-chlorophenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenyl-1-isoquinolinone IUPAC Name: 3-[[(2-chlorophenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one Traditional Name: 3-[[(2-chlorobenzyl)amino]methyl]-2,6,7-trimethyl-4-phenyl-isocarbostyril Formula: C26H25ClN2O MolecularWeight: 416.9425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)CNCC3=CC=CC=C3Cl)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)CNCC3=CC=CC=C3Cl)C4=CC=CC=C4)C

InChI

InChI=1S/C26H25ClN2O/c1-17-13-21-22(14-18(17)2)26(30)29(3)24(25(21)19-9-5-4-6-10-19)16-28-15-20-11-7-8-12-23(20)27/h4-14,28H,15-16H2,1-3H3