7-(1-methylazepan-4-yl)oxy-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 7-(1-methylazepan-4-yl)oxy-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 7-(1-methylazepan-4-yl)oxy-2-(2-thienylmethyl)-3,4-dihydro-1H-isoquinoline CAS Name: 7-[(1-methyl-4-azepanyl)oxy]-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 7-(1-methylazepan-4-yl)oxy-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 7-(1-methylazepan-4-yl)oxy-2-(2-thenyl)-3,4-dihydro-1H-isoquinoline Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(CC1)OC2=CC3=C(CCN(C3)CC4=CC=CS4)C=C2

Isomeric SMILES

CN1CCCC(CC1)OC2=CC3=C(CCN(C3)CC4=CC=CS4)C=C2

InChI

InChI=1S/C21H28N2OS/c1-22-10-2-4-19(9-11-22)24-20-7-6-17-8-12-23(15-18(17)14-20)16-21-5-3-13-25-21/h3,5-7,13-14,19H,2,4,8-12,15-16H2,1H3