4-azanyl-8-[5-(azetidin-1-ylcarbonyl)pyridin-3-yl]-N-propyl-cinnoline-3-carboxamide

Systemtic Name: 4-azanyl-8-[5-(azetidin-1-ylcarbonyl)pyridin-3-yl]-N-propyl-cinnoline-3-carboxamide Openeye Name: 4-amino-8-[5-(azetidine-1-carbonyl)-3-pyridyl]-N-propyl-cinnoline-3-carboxamide CAS Name: 4-amino-8-[5-[1-azetidinyl(oxo)methyl]-3-pyridinyl]-N-propyl-3-cinnolinecarboxamide IUPAC Name: 4-amino-8-[5-(azetidine-1-carbonyl)pyridin-3-yl]-N-propylcinnoline-3-carboxamide Traditional Name: 4-amino-8-[5-(azetidine-1-carbonyl)-3-pyridyl]-N-propyl-cinnoline-3-carboxamide Formula: C21H22N6O2 MolecularWeight: 390.43838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C2=C(C(=CC=C2)C3=CC(=CN=C3)C(=O)N4CCC4)N=N1)N

Isomeric SMILES

CCCNC(=O)C1=C(C2=C(C(=CC=C2)C3=CC(=CN=C3)C(=O)N4CCC4)N=N1)N

InChI

InChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28)