4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[2-(4-methyl-1-piperidinyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(4-methylpiperidino)-2-(2-thienyl)ethyl]benzamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(CNC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C4=CC=CS4

Isomeric SMILES

CC1CCN(CC1)C(CNC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C4=CC=CS4

InChI

InChI=1S/C25H31N5O3S/c1-17-10-12-28(13-11-17)22(23-5-4-14-34-23)15-26-25(31)21-8-6-20(7-9-21)16-29-19(3)24(30(32)33)18(2)27-29/h4-9,14,17,22H,10-13,15-16H2,1-3H3,(H,26,31)