3,7-bis(chloranyl)-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3,7-bis(chloranyl)-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3,7-dichloro-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3,7-dichloro-4-[4-[4-(2-pyrimidinyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3,7-dichloro-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3,7-dichloro-4-[4-[4-(2-pyrimidyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one Formula: C22H22Cl2N4O2 MolecularWeight: 445.34168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=NC=CC=N2)CCCCN3C(=COC4=C(C3=O)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CC=C1C2=NC=CC=N2)CCCCN3C(=COC4=C(C3=O)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H22Cl2N4O2/c23-17-4-5-19-18(14-17)22(29)28(20(24)15-30-19)11-2-1-10-27-12-6-16(7-13-27)21-25-8-3-9-26-21/h3-6,8-9,14-15H,1-2,7,10-13H2