N-[5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-2-piperidin-1-yl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-2-piperidin-1-yl-phenyl]thiophene-2-carboxamide Openeye Name: N-[5-(3-methyl-4-oxo-phthalazin-1-yl)-2-(1-piperidyl)phenyl]thiophene-2-carboxamide CAS Name: N-[5-(3-methyl-4-oxo-1-phthalazinyl)-2-(1-piperidinyl)phenyl]-2-thiophenecarboxamide IUPAC Name: N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-piperidin-1-ylphenyl]thiophene-2-carboxamide Traditional Name: N-[5-(4-keto-3-methyl-phthalazin-1-yl)-2-piperidino-phenyl]thiophene-2-carboxamide Formula: C25H24N4O2S MolecularWeight: 444.54866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCCCC4)NC(=O)C5=CC=CS5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCCCC4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C25H24N4O2S/c1-28-25(31)19-9-4-3-8-18(19)23(27-28)17-11-12-21(29-13-5-2-6-14-29)20(16-17)26-24(30)22-10-7-15-32-22/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,26,30)