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

Systemtic Name: 3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[(3-methoxyphenyl)methyl]-3-piperidyl]propan-1-one CAS Name: 3-[1-[(3-methoxyphenyl)methyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-(1-m-anisyl-3-piperidyl)propan-1-one Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCCC(C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCCC(C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H37N3O2/c1-32-26-11-5-9-25(19-26)22-29-14-6-10-24(21-29)12-13-27(31)30-17-15-28(16-18-30)20-23-7-3-2-4-8-23/h2-5,7-9,11,19,24H,6,10,12-18,20-22H2,1H3