2-(4-butan-2-yl-2-methyl-phenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-butan-2-yl-2-methyl-phenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(2-methyl-4-sec-butyl-phenoxy)propan-1-one CAS Name: 2-(4-butan-2-yl-2-methylphenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(4-butan-2-yl-2-methylphenoxy)propan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-(2-methyl-4-sec-butyl-phenoxy)propan-1-one Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)OC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)OC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C25H34N2O2/c1-5-19(2)23-11-12-24(20(3)17-23)29-21(4)25(28)27-15-13-26(14-16-27)18-22-9-7-6-8-10-22/h6-12,17,19,21H,5,13-16,18H2,1-4H3