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

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidinyl]-5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-4-piperidyl]-5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C18H22ClN5O2 MolecularWeight: 375.85258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2CCN(CC2)CC(=O)N)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2CCN(CC2)CC(=O)N)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H22ClN5O2/c1-12-16(17(19)24(22-12)14-5-3-2-4-6-14)18(26)21-13-7-9-23(10-8-13)11-15(20)25/h2-6,13H,7-11H2,1H3,(H2,20,25)(H,21,26)