4-(2-ethylphenyl)-3-[[(2-methoxyphenyl)methylamino]methyl]-2-methyl-isoquinolin-1-one hydrochloride

Systemtic Name: 4-(2-ethylphenyl)-3-[[(2-methoxyphenyl)methylamino]methyl]-2-methyl-isoquinolin-1-one hydrochloride Openeye Name: 4-(2-ethylphenyl)-3-[[(2-methoxyphenyl)methylamino]methyl]-2-methyl-isoquinolin-1-one hydrochloride CAS Name: 4-(2-ethylphenyl)-3-[[(2-methoxyphenyl)methylamino]methyl]-2-methyl-1-isoquinolinone hydrochloride IUPAC Name: 4-(2-ethylphenyl)-3-[[(2-methoxyphenyl)methylamino]methyl]-2-methylisoquinolin-1-one hydrochloride Traditional Name: 4-(2-ethylphenyl)-2-methyl-3-[(o-anisylamino)methyl]isocarbostyril hydrochloride Formula: C27H29ClN2O2 MolecularWeight: 448.98436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)CNCC4=CC=CC=C4OC.Cl

Isomeric SMILES

CCC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)CNCC4=CC=CC=C4OC.Cl

InChI

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