N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-[4-[(4-methyl-1-piperidyl)methyl]thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-[4-[(4-methyl-1-piperidinyl)methyl]-2-thiazolyl]-1-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-[4-[(4-methylpiperidino)methyl]thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC2=CSC(=N2)NC(=O)C3=NN(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)CC2=CSC(=N2)NC(=O)C3=NN(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O3S/c1-14-5-8-24(9-6-14)12-15-13-30-20(21-15)22-19(27)18-7-10-25(23-18)16-3-2-4-17(11-16)26(28)29/h2-4,7,10-11,13-14H,5-6,8-9,12H2,1H3,(H,21,22,27)