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

Systemtic Name: N-(4-morpholin-4-ylphenyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(4-morpholinophenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-[4-(4-morpholinyl)phenyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(4-morpholinophenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O3/c29-23(25-18-6-8-19(9-7-18)27-12-14-31-15-13-27)17-5-10-20-21(16-17)26-22-4-2-1-3-11-28(22)24(20)30/h5-10,16H,1-4,11-15H2,(H,25,29)