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

Systemtic Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide Openeye Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[4-(1-piperidylmethyl)phenyl]butanamide CAS Name: 2-(5-methyl-3-nitro-1-pyrazolyl)-N-[4-(1-piperidinylmethyl)phenyl]butanamide IUPAC Name: 2-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide Traditional Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[4-(piperidinomethyl)phenyl]butyramide Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)CN2CCCCC2)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)CN2CCCCC2)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C20H27N5O3/c1-3-18(24-15(2)13-19(22-24)25(27)28)20(26)21-17-9-7-16(8-10-17)14-23-11-5-4-6-12-23/h7-10,13,18H,3-6,11-12,14H2,1-2H3,(H,21,26)