3-[1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[(2-hydroxy-3-methoxy-phenyl)methyl]-3-piperidyl]propan-1-one CAS Name: 3-[1-[(2-hydroxy-3-methoxyphenyl)methyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[1-(2-hydroxy-3-methoxy-benzyl)-3-piperidyl]propan-1-one Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)CN2CCCC(C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1O)CN2CCCC(C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

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