N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-2,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[1-(4-chlorobenzyl)-4-piperidyl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C18H22ClN5O3 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2CCN(CC2)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2CCN(CC2)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C18H22ClN5O3/c1-12-16(24(26)27)17(22(2)21-12)18(25)20-15-7-9-23(10-8-15)11-13-3-5-14(19)6-4-13/h3-6,15H,7-11H2,1-2H3,(H,20,25)