[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C20H21ClN6O MolecularWeight: 396.87334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCN(CC2)C3=NC=CC=N3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCN(CC2)C3=NC=CC=N3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H21ClN6O/c1-15-17(18(21)27(24-15)14-16-6-3-2-4-7-16)19(28)25-10-12-26(13-11-25)20-22-8-5-9-23-20/h2-9H,10-14H2,1H3