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

Systemtic Name: 3-(chloromethyl)-8-methoxy-4-[4-(5-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(chloromethyl)-8-methoxy-4-[4-(5-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(chloromethyl)-8-methoxy-4-[4-[5-(2-pyrimidinyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(chloromethyl)-8-methoxy-4-[4-(5-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(chloromethyl)-8-methoxy-4-[4-[5-(2-pyrimidyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one Formula: C24H27ClN4O3 MolecularWeight: 454.94918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C(=CO2)CCl)CCCCN3CCC=C(C3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=CO2)CCl)CCCCN3CCC=C(C3)C4=NC=CC=N4

InChI

InChI=1S/C24H27ClN4O3/c1-31-20-7-8-21-22(14-20)32-17-19(15-25)29(24(21)30)13-3-2-11-28-12-4-6-18(16-28)23-26-9-5-10-27-23/h5-10,14,17H,2-4,11-13,15-16H2,1H3