[4-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-yl]-(4-ethylphenyl)methanone

Systemtic Name: [4-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-yl]-(4-ethylphenyl)methanone Openeye Name: [4-(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone CAS Name: [4-[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-1-piperazinyl]-(4-ethylphenyl)methanone IUPAC Name: [4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone Traditional Name: [4-(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)piperazino]-(4-ethylphenyl)methanone Formula: C25H27ClN4O2 MolecularWeight: 450.96048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C(N(N=C3C)CC4=CC=CC=C4)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C(N(N=C3C)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H27ClN4O2/c1-3-19-9-11-21(12-10-19)24(31)28-13-15-29(16-14-28)25(32)22-18(2)27-30(23(22)26)17-20-7-5-4-6-8-20/h4-12H,3,13-17H2,1-2H3