6-[(3,5-dimethylphenyl)-piperazin-1-yl-methyl]isoquinoline

Systemtic Name: 6-[(3,5-dimethylphenyl)-piperazin-1-yl-methyl]isoquinoline Openeye Name: 6-[(3,5-dimethylphenyl)-piperazin-1-yl-methyl]isoquinoline CAS Name: 6-[(3,5-dimethylphenyl)-(1-piperazinyl)methyl]isoquinoline IUPAC Name: 6-[(3,5-dimethylphenyl)-piperazin-1-ylmethyl]isoquinoline Traditional Name: 6-[(3,5-dimethylphenyl)-piperazino-methyl]isoquinoline Formula: C22H25N3 MolecularWeight: 331.454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCNCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCNCC4)C

InChI

InChI=1S/C22H25N3/c1-16-11-17(2)13-21(12-16)22(25-9-7-23-8-10-25)19-3-4-20-15-24-6-5-18(20)14-19/h3-6,11-15,22-23H,7-10H2,1-2H3