6-[(2,6-dimethoxyphenyl)-piperazin-1-yl-methyl]isoquinoline

Systemtic Name: 6-[(2,6-dimethoxyphenyl)-piperazin-1-yl-methyl]isoquinoline Openeye Name: 6-[(2,6-dimethoxyphenyl)-piperazin-1-yl-methyl]isoquinoline CAS Name: 6-[(2,6-dimethoxyphenyl)-(1-piperazinyl)methyl]isoquinoline IUPAC Name: 6-[(2,6-dimethoxyphenyl)-piperazin-1-ylmethyl]isoquinoline Traditional Name: 6-[(2,6-dimethoxyphenyl)-piperazino-methyl]isoquinoline Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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