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

Systemtic Name: 1-[2-methyl-3-[4-[2-(3-methylbutoxy)-2-phenyl-ethyl]piperazin-1-yl]phenyl]propan-1-one Openeye Name: 1-[3-[4-(2-isopentyloxy-2-phenyl-ethyl)piperazin-1-yl]-2-methyl-phenyl]propan-1-one CAS Name: 1-[2-methyl-3-[4-[2-(3-methylbutoxy)-2-phenylethyl]-1-piperazinyl]phenyl]-1-propanone IUPAC Name: 1-[2-methyl-3-[4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl]phenyl]propan-1-one Traditional Name: 1-[3-[4-(2-isoamoxy-2-phenyl-ethyl)piperazino]-2-methyl-phenyl]propan-1-one Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=CC=C1)N2CCN(CC2)CC(C3=CC=CC=C3)OCCC(C)C)C

Isomeric SMILES

CCC(=O)C1=C(C(=CC=C1)N2CCN(CC2)CC(C3=CC=CC=C3)OCCC(C)C)C

InChI

InChI=1S/C27H38N2O2/c1-5-26(30)24-12-9-13-25(22(24)4)29-17-15-28(16-18-29)20-27(31-19-14-21(2)3)23-10-7-6-8-11-23/h6-13,21,27H,5,14-20H2,1-4H3