4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepin-5-one

Systemtic Name: 4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepin-5-one Openeye Name: 4-[3-[4-(2-pyridyl)piperazin-1-yl]propyl]-2,3-dihydro-1,4-benzoxazepin-5-one CAS Name: 4-[3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-2,3-dihydro-1,4-benzoxazepin-5-one IUPAC Name: 4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepin-5-one Traditional Name: 4-[3-[4-(2-pyridyl)piperazino]propyl]-2,3-dihydro-1,4-benzoxazepin-5-one Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2CCOC3=CC=CC=C3C2=O)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCN2CCOC3=CC=CC=C3C2=O)C4=CC=CC=N4

InChI

InChI=1S/C21H26N4O2/c26-21-18-6-1-2-7-19(18)27-17-16-25(21)11-5-10-23-12-14-24(15-13-23)20-8-3-4-9-22-20/h1-4,6-9H,5,10-17H2