N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-keto-phthalazine-1-carboxamide Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3Cl)OCCO4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3Cl)OCCO4

InChI

InChI=1S/C22H22ClN3O4/c1-2-3-6-9-26-22(28)15-8-5-4-7-14(15)20(25-26)21(27)24-17-13-19-18(12-16(17)23)29-10-11-30-19/h4-5,7-8,12-13H,2-3,6,9-11H2,1H3,(H,24,27)