4-[[4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)piperazino]methyl]benzonitrile Formula: C23H22ClN5O MolecularWeight: 419.90668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN5O/c1-17-21(22(24)29(26-17)20-5-3-2-4-6-20)23(30)28-13-11-27(12-14-28)16-19-9-7-18(15-25)8-10-19/h2-10H,11-14,16H2,1H3