2-[[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methyl]aniline

Systemtic Name: 2-[[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methyl]aniline Openeye Name: 2-[[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidyl]methyl]aniline CAS Name: 2-[[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidinyl]methyl]aniline IUPAC Name: 2-[[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methyl]aniline Traditional Name: [2-[[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidino]methyl]phenyl]amine Formula: C23H31N3O2 MolecularWeight: 381.51114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCCN(C3)CC4=CC=CC=C4N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3CCCN(C3)CC4=CC=CC=C4N)OC

InChI

InChI=1S/C23H31N3O2/c1-27-22-12-17-9-11-26(15-19(17)13-23(22)28-2)20-7-5-10-25(16-20)14-18-6-3-4-8-21(18)24/h3-4,6,8,12-13,20H,5,7,9-11,14-16,24H2,1-2H3