1-butyl-5-chloranyl-3-methyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]pyrazole-4-carboxamide

Systemtic Name: 1-butyl-5-chloranyl-3-methyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]pyrazole-4-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)-4-piperidyl]-1-butyl-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidinyl]-1-butyl-5-chloro-3-methyl-4-pyrazolecarboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-butyl-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)-4-piperidyl]-1-butyl-5-chloro-3-methyl-pyrazole-4-carboxamide Formula: C22H30ClN5O2 MolecularWeight: 431.9589

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC=C3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H30ClN5O2/c1-3-4-12-28-21(23)20(16(2)26-28)22(30)25-18-10-13-27(14-11-18)15-19(29)24-17-8-6-5-7-9-17/h5-9,18H,3-4,10-15H2,1-2H3,(H,24,29)(H,25,30)