2-methyl-4-phenyl-3-(pyrrolidin-1-ylmethyl)isoquinolin-1-one

Systemtic Name: 2-methyl-4-phenyl-3-(pyrrolidin-1-ylmethyl)isoquinolin-1-one Openeye Name: 2-methyl-4-phenyl-3-(pyrrolidin-1-ylmethyl)isoquinolin-1-one CAS Name: 2-methyl-4-phenyl-3-(1-pyrrolidinylmethyl)-1-isoquinolinone IUPAC Name: 2-methyl-4-phenyl-3-(pyrrolidin-1-ylmethyl)isoquinolin-1-one Traditional Name: 2-methyl-4-phenyl-3-(pyrrolidinomethyl)isocarbostyril Formula: C21H22N2O MolecularWeight: 318.41218

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)CN4CCCC4

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)CN4CCCC4

InChI

InChI=1S/C21H22N2O/c1-22-19(15-23-13-7-8-14-23)20(16-9-3-2-4-10-16)17-11-5-6-12-18(17)21(22)24/h2-6,9-12H,7-8,13-15H2,1H3