1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-[2-(4-methylpiperazin-1-yl)phenoxy]butan-1-one

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-[2-(4-methylpiperazin-1-yl)phenoxy]butan-1-one Openeye Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-[2-(4-methylpiperazin-1-yl)phenoxy]butan-1-one CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-[2-(4-methyl-1-piperazinyl)phenoxy]-1-butanone IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-[2-(4-methylpiperazin-1-yl)phenoxy]butan-1-one Traditional Name: 1-[4-(2,3-dimethylphenyl)piperazino]-4-[2-(4-methylpiperazino)phenoxy]butan-1-one Formula: C27H38N4O2 MolecularWeight: 450.61622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCCOC3=CC=CC=C3N4CCN(CC4)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCCOC3=CC=CC=C3N4CCN(CC4)C)C

InChI

InChI=1S/C27H38N4O2/c1-22-8-6-10-24(23(22)2)29-17-19-31(20-18-29)27(32)12-7-21-33-26-11-5-4-9-25(26)30-15-13-28(3)14-16-30/h4-6,8-11H,7,12-21H2,1-3H3