1-(4-methoxyphenyl)-2-methyl-3-[4-[2-(3-methylbutoxy)-2-phenyl-ethyl]piperazin-1-yl]propan-1-one

Systemtic Name: 1-(4-methoxyphenyl)-2-methyl-3-[4-[2-(3-methylbutoxy)-2-phenyl-ethyl]piperazin-1-yl]propan-1-one Openeye Name: 3-[4-(2-isopentyloxy-2-phenyl-ethyl)piperazin-1-yl]-1-(4-methoxyphenyl)-2-methyl-propan-1-one CAS Name: 1-(4-methoxyphenyl)-2-methyl-3-[4-[2-(3-methylbutoxy)-2-phenylethyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-methoxyphenyl)-2-methyl-3-[4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl]propan-1-one Traditional Name: 3-[4-(2-isoamoxy-2-phenyl-ethyl)piperazino]-1-(4-methoxyphenyl)-2-methyl-propan-1-one Formula: C28H40N2O3 MolecularWeight: 452.6288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(CN1CCN(CC1)CC(C)C(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC(CN1CCN(CC1)CC(C)C(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C28H40N2O3/c1-22(2)14-19-33-27(24-8-6-5-7-9-24)21-30-17-15-29(16-18-30)20-23(3)28(31)25-10-12-26(32-4)13-11-25/h5-13,22-23,27H,14-21H2,1-4H3