2-[2-(1,3-benzothiazol-2-yl)-4-methyl-5-(3-morpholin-4-ylpropyl)-3,6-bis(oxidanylidene)pyrazolo[4,3-c]pyridin-1-yl]-N-(3,4-dichlorophenyl)ethanamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)-4-methyl-5-(3-morpholin-4-ylpropyl)-3,6-bis(oxidanylidene)pyrazolo[4,3-c]pyridin-1-yl]-N-(3,4-dichlorophenyl)ethanamide Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)-4-methyl-5-(3-morpholinopropyl)-3,6-dioxo-pyrazolo[4,3-c]pyridin-1-yl]-N-(3,4-dichlorophenyl)acetamide CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-4-methyl-5-[3-(4-morpholinyl)propyl]-3,6-dioxo-1-pyrazolo[4,3-c]pyridinyl]-N-(3,4-dichlorophenyl)acetamide IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)-4-methyl-5-(3-morpholin-4-ylpropyl)-3,6-dioxopyrazolo[4,3-c]pyridin-1-yl]-N-(3,4-dichlorophenyl)acetamide Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)-3,6-diketo-4-methyl-5-(3-morpholinopropyl)pyrazolo[4,3-c]pyridin-1-yl]-N-(3,4-dichlorophenyl)acetamide Formula: C29H28Cl2N6O4S MolecularWeight: 627.54142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=O)N1CCCN3CCOCC3)N(N(C2=O)C4=NC5=CC=CC=C5S4)CC(=O)NC6=CC(=C(C=C6)Cl)Cl

Isomeric SMILES

CC1=C2C(=CC(=O)N1CCCN3CCOCC3)N(N(C2=O)C4=NC5=CC=CC=C5S4)CC(=O)NC6=CC(=C(C=C6)Cl)Cl

InChI

InChI=1S/C29H28Cl2N6O4S/c1-18-27-23(16-26(39)35(18)10-4-9-34-11-13-41-14-12-34)36(17-25(38)32-19-7-8-20(30)21(31)15-19)37(28(27)40)29-33-22-5-2-3-6-24(22)42-29/h2-3,5-8,15-16H,4,9-14,17H2,1H3,(H,32,38)