N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-6-oxidanylidene-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

Systemtic Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-6-oxidanylidene-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide Openeye Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide CAS Name: N-[[2-(1-imidazolylmethyl)phenyl]methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide IUPAC Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide Traditional Name: N-[2-(imidazol-1-ylmethyl)benzyl]-6-keto-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(NC(=N1)C(=O)NCC2=CC=CC=C2CN3C=CN=C3)C4=CC=CC=C4

Isomeric SMILES

C1C(=O)N(NC(=N1)C(=O)NCC2=CC=CC=C2CN3C=CN=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N6O2/c28-19-13-23-20(25-27(19)18-8-2-1-3-9-18)21(29)24-12-16-6-4-5-7-17(16)14-26-11-10-22-15-26/h1-11,15H,12-14H2,(H,23,25)(H,24,29)