N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-[3-(4-methoxyphenyl)-1-methyl-propylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[(Z)-[3-(4-methoxyphenyl)-1-methyl-propylidene]amino]-3H-phthalazine-1-carboxamide Formula: C20H20N4O3 MolecularWeight: 364.3978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NNC(=O)C2=CC=CC=C21)CCC3=CC=C(C=C3)OC

Isomeric SMILES

C/C(=N/NC(=O)C1=NNC(=O)C2=CC=CC=C21)/CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20N4O3/c1-13(7-8-14-9-11-15(27-2)12-10-14)21-24-20(26)18-16-5-3-4-6-17(16)19(25)23-22-18/h3-6,9-12H,7-8H2,1-2H3,(H,23,25)(H,24,26)/b21-13-