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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=CSC(=N2)NC(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)CC2=CSC(=N2)NC(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O3S/c1-14-3-2-8-24(10-14)12-16-13-30-20(22-16)23-19(27)15-9-21-25(11-15)17-4-6-18(7-5-17)26(28)29/h4-7,9,11,13-14H,2-3,8,10,12H2,1H3,(H,22,23,27)