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

Systemtic Name: N-(2-morpholin-4-yl-1-phenyl-ethyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(2-morpholino-1-phenyl-ethyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-[2-(4-morpholinyl)-1-phenylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(2-morpholin-4-yl-1-phenylethyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(2-morpholino-1-phenyl-ethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC(CN4CCOCC4)C5=CC=CC=C5)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC(CN4CCOCC4)C5=CC=CC=C5)C(=O)N2CC1

InChI

InChI=1S/C26H30N4O3/c31-25(28-23(19-7-3-1-4-8-19)18-29-13-15-33-16-14-29)20-10-11-21-22(17-20)27-24-9-5-2-6-12-30(24)26(21)32/h1,3-4,7-8,10-11,17,23H,2,5-6,9,12-16,18H2,(H,28,31)