N-(1-methylsulfonylpiperidin-4-yl)-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-(1-methylsulfonylpiperidin-4-yl)-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: 3-isopropyl-N-(1-methylsulfonyl-4-piperidyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(1-methylsulfonyl-4-piperidinyl)-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-(1-methylsulfonylpiperidin-4-yl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-(1-mesyl-4-piperidyl)phthalazine-1-carboxamide Formula: C18H24N4O4S MolecularWeight: 392.47256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H24N4O4S/c1-12(2)22-18(24)15-7-5-4-6-14(15)16(20-22)17(23)19-13-8-10-21(11-9-13)27(3,25)26/h4-7,12-13H,8-11H2,1-3H3,(H,19,23)