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

Systemtic Name: 3-(chloromethyl)-8-methyl-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(chloromethyl)-8-methyl-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(chloromethyl)-8-methyl-4-[4-[4-(2-pyrimidinyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(chloromethyl)-8-methyl-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(chloromethyl)-8-methyl-4-[4-[4-(2-pyrimidyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one Formula: C24H27ClN4O2 MolecularWeight: 438.94978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)CCl)CCCCN3CCC(=CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)CCl)CCCCN3CCC(=CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H27ClN4O2/c1-18-5-6-21-22(15-18)31-17-20(16-25)29(24(21)30)12-3-2-11-28-13-7-19(8-14-28)23-26-9-4-10-27-23/h4-7,9-10,15,17H,2-3,8,11-14,16H2,1H3