2-(diethylamino)-5-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2-(diethylamino)-5-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-(diethylamino)-5-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-(diethylamino)-5-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-(diethylamino)-5-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-(diethylamino)-5-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]benzamide Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C21H24N6O3/c1-3-25(4-2)20-10-9-18(27(29)30)11-19(20)21(28)23-12-16-5-7-17(8-6-16)13-26-15-22-14-24-26/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,23,28)