2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-4-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide

Systemtic Name: 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-4-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide Openeye Name: 2-[2-(4-chloroanilino)-2-oxo-ethyl]-4-cyano-N-(1-isopropyl-4-piperidyl)pyrazole-3-carboxamide CAS Name: 2-[2-(4-chloroanilino)-2-oxoethyl]-4-cyano-N-(1-propan-2-yl-4-piperidinyl)-3-pyrazolecarboxamide IUPAC Name: 2-[2-(4-chloroanilino)-2-oxoethyl]-4-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide Traditional Name: 2-[2-(4-chloroanilino)-2-keto-ethyl]-4-cyano-N-(1-isopropyl-4-piperidyl)pyrazole-3-carboxamide Formula: C21H25ClN6O2 MolecularWeight: 428.9152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)NC(=O)C2=C(C=NN2CC(=O)NC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CC(C)N1CCC(CC1)NC(=O)C2=C(C=NN2CC(=O)NC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C21H25ClN6O2/c1-14(2)27-9-7-18(8-10-27)26-21(30)20-15(11-23)12-24-28(20)13-19(29)25-17-5-3-16(22)4-6-17/h3-6,12,14,18H,7-10,13H2,1-2H3,(H,25,29)(H,26,30)