N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-N'-pyridin-2-yl-propanediamide

Systemtic Name: N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-N'-pyridin-2-yl-propanediamide Openeye Name: N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-N'-(2-pyridyl)propanediamide CAS Name: N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-N'-(2-pyridinyl)propanediamide IUPAC Name: N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-N'-pyridin-2-ylpropanediamide Traditional Name: N-(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-N'-(2-pyridyl)malonamide Formula: C21H21N5O3 MolecularWeight: 391.42314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=C(C=C3)NC(=O)CC(=O)NC4=CC=CC=N4)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=C(C=C3)NC(=O)CC(=O)NC4=CC=CC=N4)C(=O)N2CC1

InChI

InChI=1S/C21H21N5O3/c27-19(13-20(28)25-17-6-3-4-10-22-17)23-14-8-9-16-15(12-14)21(29)26-11-5-1-2-7-18(26)24-16/h3-4,6,8-10,12H,1-2,5,7,11,13H2,(H,23,27)(H,22,25,28)