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

Systemtic Name: N-[(Z)-(4-acetamidophenyl)methylideneamino]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[(Z)-(4-acetamidophenyl)methyleneamino]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[(Z)-(4-acetamidophenyl)methylideneamino]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-(4-acetamidophenyl)methylideneamino]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: N-[(Z)-(4-acetamidobenzylidene)amino]-3-amyl-4-keto-phthalazine-1-carboxamide Formula: C23H25N5O3 MolecularWeight: 419.4763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O3/c1-3-4-7-14-28-23(31)20-9-6-5-8-19(20)21(27-28)22(30)26-24-15-17-10-12-18(13-11-17)25-16(2)29/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,25,29)(H,26,30)/b24-15-