6,7-dimethyl-2-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6,7-dimethyl-2-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6,7-dimethyl-2-[[1-[3-(3-pyridyl)propyl]-3-piperidyl]methyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethyl-2-[[1-[3-(3-pyridinyl)propyl]-3-piperidinyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6,7-dimethyl-2-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6,7-dimethyl-2-[[1-[3-(3-pyridyl)propyl]-3-piperidyl]methyl]-3,4-dihydroisocarbostyril Formula: C25H33N3O MolecularWeight: 391.54902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCN(C3)CCCC4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCN(C3)CCCC4=CN=CC=C4)C

InChI

InChI=1S/C25H33N3O/c1-19-14-23-9-13-28(25(29)24(23)15-20(19)2)18-22-8-5-12-27(17-22)11-4-7-21-6-3-10-26-16-21/h3,6,10,14-16,22H,4-5,7-9,11-13,17-18H2,1-2H3