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

Systemtic Name: 6-[(2-methoxyphenyl)-piperazin-1-yl-methyl]isoquinoline Openeye Name: 6-[(2-methoxyphenyl)-piperazin-1-yl-methyl]isoquinoline CAS Name: 6-[(2-methoxyphenyl)-(1-piperazinyl)methyl]isoquinoline IUPAC Name: 6-[(2-methoxyphenyl)-piperazin-1-ylmethyl]isoquinoline Traditional Name: 6-[(2-methoxyphenyl)-piperazino-methyl]isoquinoline Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC3=C(C=C2)C=NC=C3)N4CCNCC4

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC3=C(C=C2)C=NC=C3)N4CCNCC4

InChI

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