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

Systemtic Name: N-(4-morpholin-4-ylcarbonylphenyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-[4-(morpholine-4-carbonyl)phenyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-[4-[4-morpholinyl(oxo)methyl]phenyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-[4-(morpholine-4-carbonyl)phenyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-[4-(morpholine-4-carbonyl)phenyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O4/c30-23(26-19-8-5-17(6-9-19)24(31)28-12-14-33-15-13-28)18-7-10-20-21(16-18)27-22-4-2-1-3-11-29(22)25(20)32/h5-10,16H,1-4,11-15H2,(H,26,30)