3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[(5-methyl-2-thienyl)methyl]-3-piperidyl]propan-1-one CAS Name: 3-[1-[(5-methyl-2-thiophenyl)methyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[1-[(5-methyl-2-thienyl)methyl]-3-piperidyl]propan-1-one Formula: C25H35N3OS MolecularWeight: 425.6299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN2CCCC(C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(S1)CN2CCCC(C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H35N3OS/c1-21-9-11-24(30-21)20-27-13-5-8-23(19-27)10-12-25(29)28-16-14-26(15-17-28)18-22-6-3-2-4-7-22/h2-4,6-7,9,11,23H,5,8,10,12-20H2,1H3