N-methyl-2-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-methyl-2-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-methyl-2-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-methyl-2-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-methyl-2-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-methyl-2-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2CN1CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)C1CC2=CC=CC=C2CN1CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O3/c1-21-20(27)18-10-15-4-2-3-5-16(15)11-24(18)13-25-12-22-19(23-25)14-6-8-17(9-7-14)26(28)29/h2-9,12,18H,10-11,13H2,1H3,(H,21,27)