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

Systemtic Name: 3-(methoxymethyl)-7-methyl-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(methoxymethyl)-7-methyl-4-[4-[4-(2-pyridyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(methoxymethyl)-7-methyl-4-[4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(methoxymethyl)-7-methyl-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(methoxymethyl)-7-methyl-4-[4-[4-(2-pyridyl)piperazino]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)CCCCN3CCN(CC3)C4=CC=CC=N4)COC

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCN(CC3)C4=CC=CC=N4)COC

InChI

InChI=1S/C25H32N4O3/c1-20-8-9-23-22(17-20)25(30)29(21(18-31-2)19-32-23)12-6-5-11-27-13-15-28(16-14-27)24-7-3-4-10-26-24/h3-4,7-10,17,19H,5-6,11-16,18H2,1-2H3