1-(4-ethyl-1,4-diazepan-1-yl)-3-(4-methoxyphenyl)isoquinoline dihydrochloride

Systemtic Name: 1-(4-ethyl-1,4-diazepan-1-yl)-3-(4-methoxyphenyl)isoquinoline dihydrochloride Openeye Name: 1-(4-ethyl-1,4-diazepan-1-yl)-3-(4-methoxyphenyl)isoquinoline dihydrochloride CAS Name: 1-(4-ethyl-1,4-diazepan-1-yl)-3-(4-methoxyphenyl)isoquinoline dihydrochloride IUPAC Name: 1-(4-ethyl-1,4-diazepan-1-yl)-3-(4-methoxyphenyl)isoquinoline dihydrochloride Traditional Name: 1-(4-ethyl-1,4-diazepan-1-yl)-3-(4-methoxyphenyl)isoquinoline dihydrochloride Formula: C23H29Cl2N3O MolecularWeight: 434.40186

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OC.Cl.Cl

Isomeric SMILES

CCN1CCCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OC.Cl.Cl

InChI

InChI=1S/C23H27N3O.2ClH/c1-3-25-13-6-14-26(16-15-25)23-21-8-5-4-7-19(21)17-22(24-23)18-9-11-20(27-2)12-10-18;;/h4-5,7-12,17H,3,6,13-16H2,1-2H3;2*1H