2-(1,3-benzothiazol-2-yl)-5-cycloheptyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-cycloheptyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-cycloheptyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione CAS Name: 2-(1,3-benzothiazol-2-yl)-5-cycloheptyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-cycloheptyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-cycloheptyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-quinone Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=O)N1C3CCCCCC3)NN(C2=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C2C(=CC(=O)N1C3CCCCCC3)NN(C2=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H22N4O2S/c1-13-19-16(12-18(26)24(13)14-8-4-2-3-5-9-14)23-25(20(19)27)21-22-15-10-6-7-11-17(15)28-21/h6-7,10-12,14,23H,2-5,8-9H2,1H3