N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-methyl-6-oxidanylidene-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-methyl-6-oxidanylidene-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-6-keto-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide Formula: C21H21ClN4O4 MolecularWeight: 428.86884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(NC(=N1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3)C4=CC=CC=C4

Isomeric SMILES

CC1C(=O)N(NC(=N1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN4O4/c1-13-21(28)26(15-6-3-2-4-7-15)25-19(24-13)20(27)23-12-14-10-16(22)18-17(11-14)29-8-5-9-30-18/h2-4,6-7,10-11,13H,5,8-9,12H2,1H3,(H,23,27)(H,24,25)