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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H21N3O4/c1-2-10-24-21(26)16-7-4-3-6-15(16)19(23-24)20(25)22-14-8-9-17-18(13-14)28-12-5-11-27-17/h3-4,6-9,13H,2,5,10-12H2,1H3,(H,22,25)