3-butyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-phthalazine-1-carboxamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H23N3O4/c1-2-3-11-25-22(27)17-8-5-4-7-16(17)20(24-25)21(26)23-15-9-10-18-19(14-15)29-13-6-12-28-18/h4-5,7-10,14H,2-3,6,11-13H2,1H3,(H,23,26)