N-[(4-fluorophenyl)methyl]-10-morpholin-4-yl-3,4-bis(oxidanylidene)-2,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-10-morpholin-4-yl-3,4-bis(oxidanylidene)-2,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-10-morpholino-3,4-dioxo-2,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-10-(4-morpholinyl)-3,4-dioxo-2,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-10-morpholin-4-yl-3,4-dioxo-2,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide Traditional Name: N-(4-fluorobenzyl)-3,4-diketo-10-morpholino-2,6,7,8,9,10-hexahydropyrimid[1,2-a]azepine-2-carboxamide Formula: C21H25FN4O4 MolecularWeight: 416.446003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=NC(C(=O)C2=O)C(=O)NCC3=CC=C(C=C3)F)C(C1)N4CCOCC4

Isomeric SMILES

C1CCN2C(=NC(C(=O)C2=O)C(=O)NCC3=CC=C(C=C3)F)C(C1)N4CCOCC4

InChI

InChI=1S/C21H25FN4O4/c22-15-6-4-14(5-7-15)13-23-20(28)17-18(27)21(29)26-8-2-1-3-16(19(26)24-17)25-9-11-30-12-10-25/h4-7,16-17H,1-3,8-13H2,(H,23,28)