2-[1-(5-methyl-1-phenyl-pyrazol-4-yl)carbonylpiperidin-4-yl]-N-[(2-nitrophenyl)methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[1-(5-methyl-1-phenyl-pyrazol-4-yl)carbonylpiperidin-4-yl]-N-[(2-nitrophenyl)methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-(5-methyl-1-phenyl-pyrazole-4-carbonyl)-4-piperidyl]-N-[(2-nitrophenyl)methyl]thiazole-4-carboxamide CAS Name: 2-[1-[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-4-piperidinyl]-N-[(2-nitrophenyl)methyl]-4-thiazolecarboxamide IUPAC Name: 2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[(2-nitrophenyl)methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-(5-methyl-1-phenyl-pyrazole-4-carbonyl)-4-piperidyl]-N-(2-nitrobenzyl)thiazole-4-carboxamide Formula: C27H26N6O4S MolecularWeight: 530.59814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCC(CC3)C4=NC(=CS4)C(=O)NCC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCC(CC3)C4=NC(=CS4)C(=O)NCC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C27H26N6O4S/c1-18-22(16-29-32(18)21-8-3-2-4-9-21)27(35)31-13-11-19(12-14-31)26-30-23(17-38-26)25(34)28-15-20-7-5-6-10-24(20)33(36)37/h2-10,16-17,19H,11-15H2,1H3,(H,28,34)