5-[3-oxidanylidene-3-(4-piperidin-4-yl-1,4-diazepan-1-yl)propyl]-1H-indazole-7-carboxamide

Systemtic Name: 5-[3-oxidanylidene-3-(4-piperidin-4-yl-1,4-diazepan-1-yl)propyl]-1H-indazole-7-carboxamide Openeye Name: 5-[3-oxo-3-[4-(4-piperidyl)-1,4-diazepan-1-yl]propyl]-1H-indazole-7-carboxamide CAS Name: 5-[3-oxo-3-[4-(4-piperidinyl)-1,4-diazepan-1-yl]propyl]-1H-indazole-7-carboxamide IUPAC Name: 5-[3-oxo-3-(4-piperidin-4-yl-1,4-diazepan-1-yl)propyl]-1H-indazole-7-carboxamide Traditional Name: 5-[3-keto-3-[4-(4-piperidyl)-1,4-diazepan-1-yl]propyl]-1H-indazole-7-carboxamide Formula: C21H30N6O2 MolecularWeight: 398.5019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCC2=CC(=C3C(=C2)C=NN3)C(=O)N)C4CCNCC4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCC2=CC(=C3C(=C2)C=NN3)C(=O)N)C4CCNCC4

InChI

InChI=1S/C21H30N6O2/c22-21(29)18-13-15(12-16-14-24-25-20(16)18)2-3-19(28)27-9-1-8-26(10-11-27)17-4-6-23-7-5-17/h12-14,17,23H,1-11H2,(H2,22,29)(H,24,25)