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

Systemtic Name: 6-[(3,4-dimethoxyphenyl)-piperazin-1-yl-methyl]isoquinoline Openeye Name: 6-[(3,4-dimethoxyphenyl)-piperazin-1-yl-methyl]isoquinoline CAS Name: 6-[(3,4-dimethoxyphenyl)-(1-piperazinyl)methyl]isoquinoline IUPAC Name: 6-[(3,4-dimethoxyphenyl)-piperazin-1-ylmethyl]isoquinoline Traditional Name: 6-[(3,4-dimethoxyphenyl)-piperazino-methyl]isoquinoline Formula: C22H25N3O2 MolecularWeight: 363.4528

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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)N4CCNCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCNCC4)OC

InChI

InChI=1S/C22H25N3O2/c1-26-20-6-5-18(14-21(20)27-2)22(25-11-9-23-10-12-25)17-3-4-19-15-24-8-7-16(19)13-17/h3-8,13-15,22-23H,9-12H2,1-2H3