1-(1,3-benzodioxol-5-yl)-4-[(2-methylphenyl)methyl]-4-piperazin-1-yl-cyclohexan-1-ol

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-4-[(2-methylphenyl)methyl]-4-piperazin-1-yl-cyclohexan-1-ol Openeye Name: 1-(1,3-benzodioxol-5-yl)-4-(o-tolylmethyl)-4-piperazin-1-yl-cyclohexanol CAS Name: 1-(1,3-benzodioxol-5-yl)-4-[(2-methylphenyl)methyl]-4-(1-piperazinyl)-1-cyclohexanol IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-[(2-methylphenyl)methyl]-4-piperazin-1-ylcyclohexan-1-ol Traditional Name: 1-(1,3-benzodioxol-5-yl)-4-(2-methylbenzyl)-4-piperazino-cyclohexanol Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2(CCC(CC2)(C3=CC4=C(C=C3)OCO4)O)N5CCNCC5

Isomeric SMILES

CC1=CC=CC=C1CC2(CCC(CC2)(C3=CC4=C(C=C3)OCO4)O)N5CCNCC5

InChI

InChI=1S/C25H32N2O3/c1-19-4-2-3-5-20(19)17-24(27-14-12-26-13-15-27)8-10-25(28,11-9-24)21-6-7-22-23(16-21)30-18-29-22/h2-7,16,26,28H,8-15,17-18H2,1H3