3-chloranyl-4-[4-[4-(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-chloranyl-4-[4-[4-(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-4-[4-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one CAS Name: 3-chloro-4-[4-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-4-[4-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-4-[4-[4-(4-hydroxy-6-keto-1H-pyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=NC(=CC(=O)N2)O)CCCCN3C(=COC4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1CN(CC=C1C2=NC(=CC(=O)N2)O)CCCCN3C(=COC4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C22H23ClN4O4/c23-18-14-31-17-6-2-1-5-16(17)22(30)27(18)10-4-3-9-26-11-7-15(8-12-26)21-24-19(28)13-20(29)25-21/h1-2,5-7,13-14H,3-4,8-12H2,(H2,24,25,28,29)