N-[(Z)-(4-chlorophenyl)methylideneamino]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-(4-chlorophenyl)methylideneamino]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[(Z)-(4-chlorophenyl)methyleneamino]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[(Z)-(4-chlorophenyl)methylideneamino]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-(4-chlorophenyl)methylideneamino]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[(Z)-(4-chlorobenzylidene)amino]-4-keto-phthalazine-1-carboxamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN4O2/c1-2-3-6-13-26-21(28)18-8-5-4-7-17(18)19(25-26)20(27)24-23-14-15-9-11-16(22)12-10-15/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,24,27)/b23-14-