4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-ethyl-N-(2-oxidanylideneazepan-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-ethyl-N-(2-oxidanylideneazepan-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-ethyl-N-(2-oxoazepan-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(2-oxo-3-azepanyl)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(2-oxoazepan-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-ethyl-N-(2-ketoazepan-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C23H27ClN6O3 MolecularWeight: 470.95188

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NCC3=CC(=C(C=C3)OC)Cl)C(=O)NC4CCCCNC4=O

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NCC3=CC(=C(C=C3)OC)Cl)C(=O)NC4CCCCNC4=O

InChI

InChI=1S/C23H27ClN6O3/c1-3-30-21-15(13-28-30)20(26-11-14-7-8-19(33-2)17(24)10-14)16(12-27-21)22(31)29-18-6-4-5-9-25-23(18)32/h7-8,10,12-13,18H,3-6,9,11H2,1-2H3,(H,25,32)(H,26,27)(H,29,31)