6-[(5-chloranyl-2-methoxy-phenyl)-piperazin-1-yl-methyl]isoquinoline

Systemtic Name: 6-[(5-chloranyl-2-methoxy-phenyl)-piperazin-1-yl-methyl]isoquinoline Openeye Name: 6-[(5-chloro-2-methoxy-phenyl)-piperazin-1-yl-methyl]isoquinoline CAS Name: 6-[(5-chloro-2-methoxyphenyl)-(1-piperazinyl)methyl]isoquinoline IUPAC Name: 6-[(5-chloro-2-methoxyphenyl)-piperazin-1-ylmethyl]isoquinoline Traditional Name: 6-[(5-chloro-2-methoxy-phenyl)-piperazino-methyl]isoquinoline Formula: C21H22ClN3O MolecularWeight: 367.87188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O/c1-26-20-5-4-18(22)13-19(20)21(25-10-8-23-9-11-25)16-2-3-17-14-24-7-6-15(17)12-16/h2-7,12-14,21,23H,8-11H2,1H3