3-nitro-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: 3-nitro-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: 3-nitro-N-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: 3-nitro-N-[(2-pyrrolidino-4-pyridyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C19H19N7O3 MolecularWeight: 393.39926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=CC(=C2)CNC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC=CC(=C2)CNC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N7O3/c27-19(22-11-14-5-6-21-18(9-14)24-7-1-2-8-24)15-3-4-16(17(10-15)26(28)29)25-13-20-12-23-25/h3-6,9-10,12-13H,1-2,7-8,11H2,(H,22,27)