N-(4-methyl-5-phenyl-3-piperidin-1-ylcarbonyl-thiophen-2-yl)-2-(4-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-(4-methyl-5-phenyl-3-piperidin-1-ylcarbonyl-thiophen-2-yl)-2-(4-nitropyrazol-1-yl)ethanamide Openeye Name: N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)-2-thienyl]-2-(4-nitropyrazol-1-yl)acetamide CAS Name: N-[4-methyl-3-[oxo(1-piperidinyl)methyl]-5-phenyl-2-thiophenyl]-2-(4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-2-(4-nitropyrazol-1-yl)acetamide Traditional Name: N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)-2-thienyl]-2-(4-nitropyrazol-1-yl)acetamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N2CCCCC2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1C(=O)N2CCCCC2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O4S/c1-15-19(22(29)25-10-6-3-7-11-25)21(32-20(15)16-8-4-2-5-9-16)24-18(28)14-26-13-17(12-23-26)27(30)31/h2,4-5,8-9,12-13H,3,6-7,10-11,14H2,1H3,(H,24,28)