3-[1-(2,6-dimethylpyrimidin-4-yl)carbonylpiperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[1-(2,6-dimethylpyrimidin-4-yl)carbonylpiperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[1-(2,6-dimethylpyrimidine-4-carbonyl)-3-piperidyl]propan-1-one CAS Name: 3-[1-[(2,6-dimethyl-4-pyrimidinyl)-oxomethyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[1-(2,6-dimethylpyrimidine-4-carbonyl)-3-piperidyl]propan-1-one Formula: C26H35N5O2 MolecularWeight: 449.5884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H35N5O2/c1-20-17-24(28-21(2)27-20)26(33)31-12-6-9-23(19-31)10-11-25(32)30-15-13-29(14-16-30)18-22-7-4-3-5-8-22/h3-5,7-8,17,23H,6,9-16,18-19H2,1-2H3