3-(dimethylaminomethyl)-2-[(1-ethanoylpiperidin-4-yl)methyl]-6-methoxy-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-(dimethylaminomethyl)-2-[(1-ethanoylpiperidin-4-yl)methyl]-6-methoxy-4-phenyl-isoquinolin-1-one Openeye Name: 2-[(1-acetyl-4-piperidyl)methyl]-3-(dimethylaminomethyl)-6-methoxy-4-phenyl-isoquinolin-1-one CAS Name: 2-[(1-acetyl-4-piperidinyl)methyl]-3-(dimethylaminomethyl)-6-methoxy-4-phenyl-1-isoquinolinone IUPAC Name: 2-[(1-acetylpiperidin-4-yl)methyl]-3-(dimethylaminomethyl)-6-methoxy-4-phenylisoquinolin-1-one Traditional Name: 2-[(1-acetyl-4-piperidyl)methyl]-3-(dimethylaminomethyl)-6-methoxy-4-phenyl-isocarbostyril Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)CN2C(=C(C3=C(C2=O)C=CC(=C3)OC)C4=CC=CC=C4)CN(C)C

Isomeric SMILES

CC(=O)N1CCC(CC1)CN2C(=C(C3=C(C2=O)C=CC(=C3)OC)C4=CC=CC=C4)CN(C)C

InChI

InChI=1S/C27H33N3O3/c1-19(31)29-14-12-20(13-15-29)17-30-25(18-28(2)3)26(21-8-6-5-7-9-21)24-16-22(33-4)10-11-23(24)27(30)32/h5-11,16,20H,12-15,17-18H2,1-4H3