3,7-dimethyl-4-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3,7-dimethyl-4-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1,4-benzoxazepin-5-one Openeye Name: 3,7-dimethyl-4-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1,4-benzoxazepin-5-one CAS Name: 3,7-dimethyl-4-[5-[4-(2-pyrimidinyl)-1-piperazinyl]pentyl]-1,4-benzoxazepin-5-one IUPAC Name: 3,7-dimethyl-4-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1,4-benzoxazepin-5-one Traditional Name: 3,7-dimethyl-4-[5-[4-(2-pyrimidyl)piperazino]pentyl]-1,4-benzoxazepin-5-one Formula: C24H31N5O2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCCN3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCCN3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C24H31N5O2/c1-19-7-8-22-21(17-19)23(30)29(20(2)18-31-22)12-5-3-4-11-27-13-15-28(16-14-27)24-25-9-6-10-26-24/h6-10,17-18H,3-5,11-16H2,1-2H3