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

Systemtic Name: 4-[[4-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)piperazino]methyl]benzonitrile Formula: C24H24ClN5O MolecularWeight: 433.93326

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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)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C24H24ClN5O/c1-18-22(23(25)30(27-18)17-20-5-3-2-4-6-20)24(31)29-13-11-28(12-14-29)16-21-9-7-19(15-26)8-10-21/h2-10H,11-14,16-17H2,1H3