3,8-bis(chloranyl)-4-[4-(5-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3,8-bis(chloranyl)-4-[4-(5-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3,8-dichloro-4-[4-(5-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3,8-dichloro-4-[4-[5-(2-pyrimidinyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3,8-dichloro-4-[4-(5-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3,8-dichloro-4-[4-[5-(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(=C1)C2=NC=CC=N2)CCCCN3C(=COC4=C(C3=O)C=CC(=C4)Cl)Cl

Isomeric SMILES

C1CN(CC(=C1)C2=NC=CC=N2)CCCCN3C(=COC4=C(C3=O)C=CC(=C4)Cl)Cl

InChI

InChI=1S/C22H22Cl2N4O2/c23-17-6-7-18-19(13-17)30-15-20(24)28(22(18)29)12-2-1-10-27-11-3-5-16(14-27)21-25-8-4-9-26-21/h4-9,13,15H,1-3,10-12,14H2