1-[5-methyl-1-(2-phenyl-6-piperidin-1-yl-pyrimidin-4-yl)pyrazol-4-yl]ethanone

Systemtic Name: 1-[5-methyl-1-(2-phenyl-6-piperidin-1-yl-pyrimidin-4-yl)pyrazol-4-yl]ethanone Openeye Name: 1-[5-methyl-1-[2-phenyl-6-(1-piperidyl)pyrimidin-4-yl]pyrazol-4-yl]ethanone CAS Name: 1-[5-methyl-1-[2-phenyl-6-(1-piperidinyl)-4-pyrimidinyl]-4-pyrazolyl]ethanone IUPAC Name: 1-[5-methyl-1-(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]ethanone Traditional Name: 1-[5-methyl-1-(2-phenyl-6-piperidino-pyrimidin-4-yl)pyrazol-4-yl]ethanone Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC(=NC(=N2)C3=CC=CC=C3)N4CCCCC4)C(=O)C

Isomeric SMILES

CC1=C(C=NN1C2=CC(=NC(=N2)C3=CC=CC=C3)N4CCCCC4)C(=O)C

InChI

InChI=1S/C21H23N5O/c1-15-18(16(2)27)14-22-26(15)20-13-19(25-11-7-4-8-12-25)23-21(24-20)17-9-5-3-6-10-17/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3