(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methanone CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanone Traditional Name: (4-benzylpiperazino)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methanone Formula: C22H23ClN4O MolecularWeight: 394.89722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCN(CC2)CC3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCN(CC2)CC3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H23ClN4O/c1-17-20(21(23)27(24-17)19-10-6-3-7-11-19)22(28)26-14-12-25(13-15-26)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3