N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide

Systemtic Name: N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Openeye Name: N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: N-[3-(2-methyl-1-benzimidazolyl)propyl]-1-(4-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCCNC(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCCNC(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O3/c1-15-24-19-5-2-3-6-20(19)25(15)12-4-11-22-21(28)16-13-23-26(14-16)17-7-9-18(10-8-17)27(29)30/h2-3,5-10,13-14H,4,11-12H2,1H3,(H,22,28)