N-(3-chloranyl-2-morpholin-4-yl-phenyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-(3-chloranyl-2-morpholin-4-yl-phenyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(3-chloro-2-morpholino-phenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-[3-chloro-2-(4-morpholinyl)phenyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(3-chloro-2-morpholin-4-ylphenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-(3-chloro-2-morpholino-phenyl)-12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C24H25ClN4O3 MolecularWeight: 452.9333

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=C(C(=CC=C4)Cl)N5CCOCC5)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=C(C(=CC=C4)Cl)N5CCOCC5)C(=O)N2CC1

InChI

InChI=1S/C24H25ClN4O3/c25-18-5-4-6-19(22(18)28-11-13-32-14-12-28)27-23(30)16-8-9-17-20(15-16)26-21-7-2-1-3-10-29(21)24(17)31/h4-6,8-9,15H,1-3,7,10-14H2,(H,27,30)