(3R)-2-phenyl-N5-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-3,4-dihydropyrazole-3,5-dicarboxamide

Systemtic Name: (3R)-2-phenyl-N5-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-3,4-dihydropyrazole-3,5-dicarboxamide Openeye Name: (3R)-2-phenyl-N5-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-3,4-dihydropyrazole-3,5-dicarboxamide CAS Name: (3R)-2-phenyl-N5-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]-3,4-dihydropyrazole-3,5-dicarboxamide IUPAC Name: (3R)-2-phenyl-5-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-3,4-dihydropyrazole-3,5-dicarboxamide Traditional Name: (5R)-1-phenyl-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)-2-pyrazoline-3,5-dicarboxamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=NN(C(C4)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=NN([C@H](C4)C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C22H22N6O2S/c23-20(29)18-13-17(26-28(18)15-6-2-1-3-7-15)21(30)24-14-8-9-16-19(12-14)31-22(25-16)27-10-4-5-11-27/h1-3,6-9,12,18H,4-5,10-11,13H2,(H2,23,29)(H,24,30)/t18-/m1/s1