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

Systemtic Name: 3-(chloromethyl)-7-methoxy-4-[4-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(chloromethyl)-7-methoxy-4-[4-[4-(2-pyridyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(chloromethyl)-7-methoxy-4-[4-[4-(2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(chloromethyl)-7-methoxy-4-[4-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(chloromethyl)-7-methoxy-4-[4-[4-(2-pyridyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one Formula: C25H28ClN3O3 MolecularWeight: 453.96112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCC(=CC3)C4=CC=CC=N4)CCl

Isomeric SMILES

COC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCC(=CC3)C4=CC=CC=N4)CCl

InChI

InChI=1S/C25H28ClN3O3/c1-31-21-7-8-24-22(16-21)25(30)29(20(17-26)18-32-24)13-5-4-12-28-14-9-19(10-15-28)23-6-2-3-11-27-23/h2-3,6-9,11,16,18H,4-5,10,12-15,17H2,1H3