1,5-dimethyl-2-phenyl-4-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[[(1-pyrimidin-2-yl-3-piperidyl)amino]methyl]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[[[1-(2-pyrimidinyl)-3-piperidinyl]amino]methyl]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[[[1-(2-pyrimidyl)-3-piperidyl]amino]methyl]-3-pyrazolin-3-one Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CNC3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CNC3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C21H26N6O/c1-16-19(20(28)27(25(16)2)18-9-4-3-5-10-18)14-24-17-8-6-13-26(15-17)21-22-11-7-12-23-21/h3-5,7,9-12,17,24H,6,8,13-15H2,1-2H3