6,7-dimethyl-2-[[1-(3-pyridin-3-ylpropyl)azepan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethyl-2-[[1-(3-pyridin-3-ylpropyl)azepan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethyl-2-[[1-[3-(3-pyridyl)propyl]azepan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethyl-2-[[1-[3-(3-pyridinyl)propyl]-3-azepanyl]methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethyl-2-[[1-(3-pyridin-3-ylpropyl)azepan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethyl-2-[[1-[3-(3-pyridyl)propyl]azepan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Formula: C26H37N3 MolecularWeight: 391.59208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CN(CCC2=C1)CC3CCCCN(C3)CCCC4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C=C2CN(CCC2=C1)CC3CCCCN(C3)CCCC4=CN=CC=C4)C

InChI

InChI=1S/C26H37N3/c1-21-15-25-10-14-29(20-26(25)16-22(21)2)19-24-7-3-4-12-28(18-24)13-6-9-23-8-5-11-27-17-23/h5,8,11,15-17,24H,3-4,6-7,9-10,12-14,18-20H2,1-2H3