3-[1-(3-methoxyphenyl)carbonylpiperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[1-(3-methoxyphenyl)carbonylpiperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[1-(3-methoxybenzoyl)-3-piperidyl]propan-1-one CAS Name: 3-[1-[(3-methoxyphenyl)-oxomethyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[1-(3-methoxybenzoyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-(1-m-anisoyl-3-piperidyl)propan-1-one Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3/c1-33-25-11-5-10-24(19-25)27(32)30-14-6-9-23(21-30)12-13-26(31)29-17-15-28(16-18-29)20-22-7-3-2-4-8-22/h2-5,7-8,10-11,19,23H,6,9,12-18,20-21H2,1H3