3-(methoxymethyl)-7-methyl-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-(methoxymethyl)-7-methyl-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(methoxymethyl)-7-methyl-4-[4-(4-pyrimidin-2-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(methoxymethyl)-7-methyl-4-[4-[4-(2-pyrimidinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(methoxymethyl)-7-methyl-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(methoxymethyl)-7-methyl-4-[4-[4-(2-pyrimidyl)piperidino]butyl]-1,4-benzoxazepin-5-one Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCC(CC3)C4=NC=CC=N4)COC

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCC(CC3)C4=NC=CC=N4)COC

InChI

InChI=1S/C25H32N4O3/c1-19-6-7-23-22(16-19)25(30)29(21(17-31-2)18-32-23)13-4-3-12-28-14-8-20(9-15-28)24-26-10-5-11-27-24/h5-7,10-11,16,18,20H,3-4,8-9,12-15,17H2,1-2H3