3-[5-[4-(3-methylphenyl)piperazin-1-yl]pentoxy]isoquinoline

Systemtic Name: 3-[5-[4-(3-methylphenyl)piperazin-1-yl]pentoxy]isoquinoline Openeye Name: 3-[5-[4-(m-tolyl)piperazin-1-yl]pentoxy]isoquinoline CAS Name: 3-[5-[4-(3-methylphenyl)-1-piperazinyl]pentoxy]isoquinoline IUPAC Name: 3-[5-[4-(3-methylphenyl)piperazin-1-yl]pentoxy]isoquinoline Traditional Name: 3-[5-[4-(m-tolyl)piperazino]pentoxy]isoquinoline Formula: C25H31N3O MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCCCOC3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCCCOC3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C25H31N3O/c1-21-8-7-11-24(18-21)28-15-13-27(14-16-28)12-5-2-6-17-29-25-19-22-9-3-4-10-23(22)20-26-25/h3-4,7-11,18-20H,2,5-6,12-17H2,1H3