3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-[4-(1-piperidylmethyl)phenyl]propanamide CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methyl-N-[4-(1-piperidinylmethyl)phenyl]propanamide IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-[4-(piperidinomethyl)phenyl]propionamide Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NC2=CC=C(C=C2)CN3CCCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(C)C(=O)NC2=CC=C(C=C2)CN3CCCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O3/c1-15(13-25-17(3)20(26(28)29)16(2)23-25)21(27)22-19-9-7-18(8-10-19)14-24-11-5-4-6-12-24/h7-10,15H,4-6,11-14H2,1-3H3,(H,22,27)