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

Systemtic Name: 3-nitro-4-pyrrolidin-1-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-nitro-4-pyrrolidin-1-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-nitro-4-(1-pyrrolidinyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-nitro-4-pyrrolidin-1-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-nitro-4-pyrrolidino-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]benzamide Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O3/c28-21(16-7-8-19(20(11-16)27(29)30)25-9-3-4-10-25)23-12-17-5-1-2-6-18(17)13-26-15-22-14-24-26/h1-2,5-8,11,14-15H,3-4,9-10,12-13H2,(H,23,28)