(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (1-butyl-5-chloro-3-methyl-4-pyrazolyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (1-butyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C17H23ClN6O MolecularWeight: 362.85712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)N2CCN(CC2)C3=NC=CC=N3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)N2CCN(CC2)C3=NC=CC=N3)Cl

InChI

InChI=1S/C17H23ClN6O/c1-3-4-8-24-15(18)14(13(2)21-24)16(25)22-9-11-23(12-10-22)17-19-6-5-7-20-17/h5-7H,3-4,8-12H2,1-2H3