4-(3-methylpiperidin-1-yl)-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

Systemtic Name: 4-(3-methylpiperidin-1-yl)-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide Openeye Name: 4-(3-methyl-1-piperidyl)-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitro-N-[2-(1-phenyl-4-pyrazolyl)ethyl]benzamide IUPAC Name: 4-(3-methylpiperidin-1-yl)-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide Traditional Name: 4-(3-methylpiperidino)-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O3/c1-18-6-5-13-27(16-18)22-10-9-20(14-23(22)29(31)32)24(30)25-12-11-19-15-26-28(17-19)21-7-3-2-4-8-21/h2-4,7-10,14-15,17-18H,5-6,11-13,16H2,1H3,(H,25,30)