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

Systemtic Name: 3-chloranyl-4-[4-[4-(5-oxidanylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-4-[4-[4-(5-hydroxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one CAS Name: 3-chloro-4-[4-[4-(5-hydroxy-2-pyrimidinyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-4-[4-[4-(5-hydroxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-4-[4-[4-(5-hydroxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O3/c23-20-15-30-19-6-2-1-5-18(19)22(29)27(20)10-4-3-9-26-11-7-16(8-12-26)21-24-13-17(28)14-25-21/h1-2,5-7,13-15,28H,3-4,8-12H2