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

Systemtic Name: 3-(methoxymethyl)-7-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(methoxymethyl)-7-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(methoxymethyl)-7-methyl-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(methoxymethyl)-7-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(methoxymethyl)-7-methyl-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O3/c1-19-6-7-22-21(16-19)23(30)29(20(17-31-2)18-32-22)11-4-3-10-27-12-14-28(15-13-27)24-25-8-5-9-26-24/h5-9,16,18H,3-4,10-15,17H2,1-2H3