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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-phthalazine-1-carboxamide Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H25N3O4/c1-2-3-6-12-26-23(28)18-9-5-4-8-17(18)21(25-26)22(27)24-16-10-11-19-20(15-16)30-14-7-13-29-19/h4-5,8-11,15H,2-3,6-7,12-14H2,1H3,(H,24,27)