N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H20N4O4 MolecularWeight: 392.4079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C/C(=N/NC(=O)C1=NN(C(=O)C2=CC=CC=C21)C)/C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H20N4O4/c1-13(14-8-9-17-18(12-14)29-11-5-10-28-17)22-23-20(26)19-15-6-3-4-7-16(15)21(27)25(2)24-19/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,23,26)/b22-13-