6-[1,4-diazepan-1-yl-(3,4-dimethoxyphenyl)methyl]isoquinoline

Systemtic Name: 6-[1,4-diazepan-1-yl-(3,4-dimethoxyphenyl)methyl]isoquinoline Openeye Name: 6-[1,4-diazepan-1-yl-(3,4-dimethoxyphenyl)methyl]isoquinoline CAS Name: 6-[1,4-diazepan-1-yl-(3,4-dimethoxyphenyl)methyl]isoquinoline IUPAC Name: 6-[1,4-diazepan-1-yl-(3,4-dimethoxyphenyl)methyl]isoquinoline Traditional Name: 6-[1,4-diazepan-1-yl-(3,4-dimethoxyphenyl)methyl]isoquinoline Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCNCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCNCC4)OC

InChI

InChI=1S/C23H27N3O2/c1-27-21-7-6-19(15-22(21)28-2)23(26-12-3-9-24-11-13-26)18-4-5-20-16-25-10-8-17(20)14-18/h4-8,10,14-16,23-24H,3,9,11-13H2,1-2H3