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

Systemtic Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H20N4O5/c1-22-20(27)19-14-5-2-3-6-15(14)21(28)25(24-19)12-18(26)23-13-7-8-16-17(11-13)30-10-4-9-29-16/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,22,27)(H,23,26)