2-(4-chlorophenyl)-N-cyano-3-methyl-4-[4-[3-(3-oxidanylpropyl)piperazin-1-yl]phenyl]-3H-pyrazole-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-cyano-3-methyl-4-[4-[3-(3-oxidanylpropyl)piperazin-1-yl]phenyl]-3H-pyrazole-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-cyano-4-[4-[3-(3-hydroxypropyl)piperazin-1-yl]phenyl]-3-methyl-3H-pyrazole-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-cyano-4-[4-[3-(3-hydroxypropyl)-1-piperazinyl]phenyl]-3-methyl-3H-pyrazole-4-carboxamide IUPAC Name: 2-(4-chlorophenyl)-N-cyano-4-[4-[3-(3-hydroxypropyl)piperazin-1-yl]phenyl]-3-methyl-3H-pyrazole-4-carboxamide Traditional Name: 1-(4-chlorophenyl)-N-cyano-4-[4-[3-(3-hydroxypropyl)piperazino]phenyl]-5-methyl-2-pyrazoline-4-carboxamide Formula: C25H29ClN6O2 MolecularWeight: 480.98976

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C=NN1C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)N4CCNC(C4)CCCO)C(=O)NC#N

Isomeric SMILES

CC1C(C=NN1C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)N4CCNC(C4)CCCO)C(=O)NC#N

InChI

InChI=1S/C25H29ClN6O2/c1-18-25(24(34)29-17-27,16-30-32(18)23-10-6-20(26)7-11-23)19-4-8-22(9-5-19)31-13-12-28-21(15-31)3-2-14-33/h4-11,16,18,21,28,33H,2-3,12-15H2,1H3,(H,29,34)