N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-6-oxidanylidene-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-6-oxidanylidene-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-6-keto-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=NCC(=O)N(N3)C4=CC=CC=C4

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=NCC(=O)N(N3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O4/c1-14(15-8-9-17-18(12-15)29-11-5-10-28-17)23-21(27)20-22-13-19(26)25(24-20)16-6-3-2-4-7-16/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,22,24)(H,23,27)