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

Systemtic Name: 3-(methoxymethyl)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(methoxymethyl)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(methoxymethyl)-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(methoxymethyl)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(methoxymethyl)-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C23H29N5O3 MolecularWeight: 423.50806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=COC2=CC=CC=C2C(=O)N1CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COCC1=COC2=CC=CC=C2C(=O)N1CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H29N5O3/c1-30-17-19-18-31-21-8-3-2-7-20(21)22(29)28(19)12-5-4-11-26-13-15-27(16-14-26)23-24-9-6-10-25-23/h2-3,6-10,18H,4-5,11-17H2,1H3