N-[1-azanyl-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[1-azanyl-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[2-amino-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]-2-(4-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide IUPAC Name: N-[1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[2-amino-2-keto-1-(4-nitrobenzyl)ethyl]-2-(4-pyridyl)-3H-benzimidazole-5-carboxamide Formula: C22H18N6O4 MolecularWeight: 430.41612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)N)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)N)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O4/c23-20(29)19(11-13-1-4-16(5-2-13)28(31)32)27-22(30)15-3-6-17-18(12-15)26-21(25-17)14-7-9-24-10-8-14/h1-10,12,19H,11H2,(H2,23,29)(H,25,26)(H,27,30)