N-(2-chloranylpyridin-3-yl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-(2-chloranylpyridin-3-yl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(2-chloro-3-pyridyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-(2-chloro-3-pyridinyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(2-chloropyridin-3-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-(2-chloro-3-pyridyl)-12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C19H17ClN4O2 MolecularWeight: 368.81688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=C(N=CC=C4)Cl)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=C(N=CC=C4)Cl)C(=O)N2CC1

InChI

InChI=1S/C19H17ClN4O2/c20-17-14(5-4-9-21-17)23-18(25)12-7-8-13-15(11-12)22-16-6-2-1-3-10-24(16)19(13)26/h4-5,7-9,11H,1-3,6,10H2,(H,23,25)