6-[(3-methoxyphenyl)-piperazin-1-yl-methyl]isoquinoline

Systemtic Name: 6-[(3-methoxyphenyl)-piperazin-1-yl-methyl]isoquinoline Openeye Name: 6-[(3-methoxyphenyl)-piperazin-1-yl-methyl]isoquinoline CAS Name: 6-[(3-methoxyphenyl)-(1-piperazinyl)methyl]isoquinoline IUPAC Name: 6-[(3-methoxyphenyl)-piperazin-1-ylmethyl]isoquinoline Traditional Name: 6-[(3-methoxyphenyl)-piperazino-methyl]isoquinoline Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O/c1-25-20-4-2-3-17(14-20)21(24-11-9-22-10-12-24)18-5-6-19-15-23-8-7-16(19)13-18/h2-8,13-15,21-22H,9-12H2,1H3