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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(NCCC2=C1)CC3CCCCN(C3)CCCC4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(NCCC2=C1)CC3CCCCN(C3)CCCC4=CN=CC=C4)C

InChI

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