3-[1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[(4-hydroxy-3-methoxy-phenyl)methyl]-3-piperidyl]propan-1-one CAS Name: 3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-(1-vanillyl-3-piperidyl)propan-1-one Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O3/c1-33-26-18-24(9-11-25(26)31)21-29-13-5-8-23(20-29)10-12-27(32)30-16-14-28(15-17-30)19-22-6-3-2-4-7-22/h2-4,6-7,9,11,18,23,31H,5,8,10,12-17,19-21H2,1H3