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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-4-[(3-methoxyphenyl)methyl]-4-piperazin-1-yl-cyclohexan-1-ol Openeye Name: 1-(1,3-benzodioxol-5-yl)-4-[(3-methoxyphenyl)methyl]-4-piperazin-1-yl-cyclohexanol CAS Name: 1-(1,3-benzodioxol-5-yl)-4-[(3-methoxyphenyl)methyl]-4-(1-piperazinyl)-1-cyclohexanol IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-[(3-methoxyphenyl)methyl]-4-piperazin-1-ylcyclohexan-1-ol Traditional Name: 1-(1,3-benzodioxol-5-yl)-4-m-anisyl-4-piperazino-cyclohexanol Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2(CCC(CC2)(C3=CC4=C(C=C3)OCO4)O)N5CCNCC5

Isomeric SMILES

COC1=CC=CC(=C1)CC2(CCC(CC2)(C3=CC4=C(C=C3)OCO4)O)N5CCNCC5

InChI

InChI=1S/C25H32N2O4/c1-29-21-4-2-3-19(15-21)17-24(27-13-11-26-12-14-27)7-9-25(28,10-8-24)20-5-6-22-23(16-20)31-18-30-22/h2-6,15-16,26,28H,7-14,17-18H2,1H3