3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C22H21N5O2S MolecularWeight: 419.49944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN3CCC[C@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N5O2S/c1-23-20(28)19-14-7-2-3-8-15(14)22(29)27(25-19)13-26-12-6-10-17(26)21-24-16-9-4-5-11-18(16)30-21/h2-5,7-9,11,17H,6,10,12-13H2,1H3,(H,23,28)/t17-/m0/s1