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

Systemtic Name: 3-chloranyl-4-[4-(5-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-4-[4-(5-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-chloro-4-[4-[5-(2-pyrimidinyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-4-[4-(5-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-4-[4-[5-(2-pyrimidyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one Formula: C22H23ClN4O2 MolecularWeight: 410.89662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=C1)C2=NC=CC=N2)CCCCN3C(=COC4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1CN(CC(=C1)C2=NC=CC=N2)CCCCN3C(=COC4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C22H23ClN4O2/c23-20-16-29-19-9-2-1-8-18(19)22(28)27(20)14-4-3-12-26-13-5-7-17(15-26)21-24-10-6-11-25-21/h1-2,6-11,16H,3-5,12-15H2