3-methyl-2-[(1-phenethylpiperidin-4-yl)methyl]-3a,4,5,6-tetrahydro-3H-isoindol-1-one

Systemtic Name: 3-methyl-2-[(1-phenethylpiperidin-4-yl)methyl]-3a,4,5,6-tetrahydro-3H-isoindol-1-one Openeye Name: 3-methyl-2-[(1-phenethyl-4-piperidyl)methyl]-3a,4,5,6-tetrahydro-3H-isoindol-1-one CAS Name: 3-methyl-2-[(1-phenethyl-4-piperidinyl)methyl]-3a,4,5,6-tetrahydro-3H-isoindol-1-one IUPAC Name: 3-methyl-2-[(1-phenethylpiperidin-4-yl)methyl]-3a,4,5,6-tetrahydro-3H-isoindol-1-one Traditional Name: 3-methyl-2-[(1-phenethyl-4-piperidyl)methyl]-3a,4,5,6-tetrahydro-3H-isoindol-1-one Formula: C23H32N2O MolecularWeight: 352.51298

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CCCC=C2C(=O)N1CC3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1C2CCCC=C2C(=O)N1CC3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H32N2O/c1-18-21-9-5-6-10-22(21)23(26)25(18)17-20-12-15-24(16-13-20)14-11-19-7-3-2-4-8-19/h2-4,7-8,10,18,20-21H,5-6,9,11-17H2,1H3