N-[(Z)-(7-chloranyl-1,3-benzodioxol-5-yl)methylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-(7-chloranyl-1,3-benzodioxol-5-yl)methylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methyleneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methyleneamino]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C20H17ClN4O4 MolecularWeight: 412.82638

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H17ClN4O4/c1-2-7-25-20(27)14-6-4-3-5-13(14)17(24-25)19(26)23-22-10-12-8-15(21)18-16(9-12)28-11-29-18/h3-6,8-10H,2,7,11H2,1H3,(H,23,26)/b22-10-