N-[3-cyano-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide

Systemtic Name: N-[3-cyano-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide Openeye Name: N-[3-cyano-4-(4-piperazin-1-yl-1-piperidyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide CAS Name: N-[3-cyano-4-[4-(1-piperazinyl)-1-piperidinyl]phenyl]-5-methyl-1H-pyrazole-4-carboxamide IUPAC Name: N-[3-cyano-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide Traditional Name: N-[3-cyano-4-(4-piperazinopiperidino)phenyl]-5-methyl-1H-pyrazole-4-carboxamide Formula: C21H27N7O MolecularWeight: 393.48538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1)C(=O)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCNCC4)C#N

Isomeric SMILES

CC1=C(C=NN1)C(=O)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCNCC4)C#N

InChI

InChI=1S/C21H27N7O/c1-15-19(14-24-26-15)21(29)25-17-2-3-20(16(12-17)13-22)28-8-4-18(5-9-28)27-10-6-23-7-11-27/h2-3,12,14,18,23H,4-11H2,1H3,(H,24,26)(H,25,29)