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

Systemtic Name: 4-[[4-[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carbonyl]piperazino]methyl]benzonitrile Formula: C25H26ClN5O MolecularWeight: 447.95984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C25H26ClN5O/c1-18-3-5-22(6-4-18)17-31-24(26)23(19(2)28-31)25(32)30-13-11-29(12-14-30)16-21-9-7-20(15-27)8-10-21/h3-10H,11-14,16-17H2,1-2H3