1-(3-chlorophenyl)-N-[3-cyano-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-5-methyl-pyrazole-4-carboxamide

Systemtic Name: 1-(3-chlorophenyl)-N-[3-cyano-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-5-methyl-pyrazole-4-carboxamide Openeye Name: 1-(3-chlorophenyl)-N-[3-cyano-2-(4-tetrahydropyran-4-ylpiperazin-1-yl)phenyl]-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(3-chlorophenyl)-N-[3-cyano-2-[4-(4-oxanyl)-1-piperazinyl]phenyl]-5-methyl-4-pyrazolecarboxamide IUPAC Name: 1-(3-chlorophenyl)-N-[3-cyano-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-5-methylpyrazole-4-carboxamide Traditional Name: 1-(3-chlorophenyl)-N-[3-cyano-2-(4-tetrahydropyran-4-ylpiperazino)phenyl]-5-methyl-pyrazole-4-carboxamide Formula: C27H29ClN6O2 MolecularWeight: 505.01116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NC3=CC=CC(=C3N4CCN(CC4)C5CCOCC5)C#N

Isomeric SMILES

CC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NC3=CC=CC(=C3N4CCN(CC4)C5CCOCC5)C#N

InChI

InChI=1S/C27H29ClN6O2/c1-19-24(18-30-34(19)23-6-3-5-21(28)16-23)27(35)31-25-7-2-4-20(17-29)26(25)33-12-10-32(11-13-33)22-8-14-36-15-9-22/h2-7,16,18,22H,8-15H2,1H3,(H,31,35)