3,8-bis(chloranyl)-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3,8-bis(chloranyl)-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3,8-dichloro-4-[4-(4-pyrimidin-2-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3,8-dichloro-4-[4-[4-(2-pyrimidinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3,8-dichloro-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3,8-dichloro-4-[4-[4-(2-pyrimidyl)piperidino]butyl]-1,4-benzoxazepin-5-one Formula: C22H24Cl2N4O2 MolecularWeight: 447.35756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CC=N2)CCCCN3C(=COC4=C(C3=O)C=CC(=C4)Cl)Cl

Isomeric SMILES

C1CN(CCC1C2=NC=CC=N2)CCCCN3C(=COC4=C(C3=O)C=CC(=C4)Cl)Cl

InChI

InChI=1S/C22H24Cl2N4O2/c23-17-4-5-18-19(14-17)30-15-20(24)28(22(18)29)11-2-1-10-27-12-6-16(7-13-27)21-25-8-3-9-26-21/h3-5,8-9,14-16H,1-2,6-7,10-13H2