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

Systemtic Name: 3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenyl-isoquinolin-1-one Openeye Name: 3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenyl-isoquinolin-1-one CAS Name: 3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenyl-1-isoquinolinone IUPAC Name: 3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one Traditional Name: 2,6,7-trimethyl-3-[(o-anisylamino)methyl]-4-phenyl-isocarbostyril Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)CNCC3=CC=CC=C3OC)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)CNCC3=CC=CC=C3OC)C4=CC=CC=C4)C

InChI

InChI=1S/C27H28N2O2/c1-18-14-22-23(15-19(18)2)27(30)29(3)24(26(22)20-10-6-5-7-11-20)17-28-16-21-12-8-9-13-25(21)31-4/h5-15,28H,16-17H2,1-4H3