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

Systemtic Name: 4-[[4-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-chloro-1,3-dimethyl-pyrazole-4-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-chloro-1,3-dimethyl-pyrazole-4-carbonyl)piperazino]methyl]benzonitrile Formula: C18H20ClN5O MolecularWeight: 357.8373

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN5O/c1-13-16(17(19)22(2)21-13)18(25)24-9-7-23(8-10-24)12-15-5-3-14(11-20)4-6-15/h3-6H,7-10,12H2,1-2H3