6-[(4-methoxyphenyl)-piperazin-1-yl-methyl]isoquinoline

Systemtic Name: 6-[(4-methoxyphenyl)-piperazin-1-yl-methyl]isoquinoline Openeye Name: 6-[(4-methoxyphenyl)-piperazin-1-yl-methyl]isoquinoline CAS Name: 6-[(4-methoxyphenyl)-(1-piperazinyl)methyl]isoquinoline IUPAC Name: 6-[(4-methoxyphenyl)-piperazin-1-ylmethyl]isoquinoline Traditional Name: 6-[(4-methoxyphenyl)-piperazino-methyl]isoquinoline Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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