N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,5-dimethylphenyl)-1-oxo-phthalazin-2-yl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,5-dimethylphenyl)-1-oxo-2-phthalazinyl]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,5-dimethylphenyl)-1-keto-phthalazin-2-yl]acetamide Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C27H25N3O4/c1-17-8-9-18(2)22(14-17)26-20-6-3-4-7-21(20)27(32)30(29-26)16-25(31)28-19-10-11-23-24(15-19)34-13-5-12-33-23/h3-4,6-11,14-15H,5,12-13,16H2,1-2H3,(H,28,31)