1-(4-methylpiperazin-1-yl)-3-[1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]piperidin-3-yl]propan-1-one

Systemtic Name: 1-(4-methylpiperazin-1-yl)-3-[1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]piperidin-3-yl]propan-1-one Openeye Name: 3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-piperidyl]-1-(4-methylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-piperidinyl]-1-(4-methyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-[4-(4-hydroxybut-1-ynyl)benzyl]-3-piperidyl]-1-(4-methylpiperazino)propan-1-one Formula: C24H35N3O2 MolecularWeight: 397.5536

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC2CCCN(C2)CC3=CC=C(C=C3)C#CCCO

Isomeric SMILES

CN1CCN(CC1)C(=O)CCC2CCCN(C2)CC3=CC=C(C=C3)C#CCCO

InChI

InChI=1S/C24H35N3O2/c1-25-14-16-27(17-15-25)24(29)12-11-22-6-4-13-26(19-22)20-23-9-7-21(8-10-23)5-2-3-18-28/h7-10,22,28H,3-4,6,11-20H2,1H3