4-(4-methylpiperidin-1-yl)-3-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide

Systemtic Name: 4-(4-methylpiperidin-1-yl)-3-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide Openeye Name: 4-(4-methyl-1-piperidyl)-3-nitro-N-[2-(2-thienylmethyl)pyrazol-3-yl]benzamide CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitro-N-[2-(thiophen-2-ylmethyl)-3-pyrazolyl]benzamide IUPAC Name: 4-(4-methylpiperidin-1-yl)-3-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide Traditional Name: 4-(4-methylpiperidino)-3-nitro-N-[2-(2-thenyl)pyrazol-3-yl]benzamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3S/c1-15-7-10-24(11-8-15)18-5-4-16(13-19(18)26(28)29)21(27)23-20-6-9-22-25(20)14-17-3-2-12-30-17/h2-6,9,12-13,15H,7-8,10-11,14H2,1H3,(H,23,27)