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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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