N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)ethanamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)ethanamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-methyl-1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(1-keto-4-methyl-phthalazin-2-yl)acetamide Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC4=C(C=C3Cl)OCCCO4

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC4=C(C=C3Cl)OCCCO4

InChI

InChI=1S/C20H18ClN3O4/c1-12-13-5-2-3-6-14(13)20(26)24(23-12)11-19(25)22-16-10-18-17(9-15(16)21)27-7-4-8-28-18/h2-3,5-6,9-10H,4,7-8,11H2,1H3,(H,22,25)