1-[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]-2-(2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone

Systemtic Name: 1-[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]-2-(2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Openeye Name: 1-[4-(5-chloro-2-pyridyl)piperazin-1-yl]-2-(2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone CAS Name: 1-[4-(5-chloro-2-pyridinyl)-1-piperazinyl]-2-(2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone IUPAC Name: 1-[4-(5-chloropyridin-2-yl)piperazin-1-yl]-2-(2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Traditional Name: 1-[4-(5-chloro-2-pyridyl)piperazino]-2-(2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Formula: C23H29ClN4O3 MolecularWeight: 444.95436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC2=C(O1)C=CC(=C2)OC)CC(=O)N3CCN(CC3)C4=NC=C(C=C4)Cl

Isomeric SMILES

CCC1CN(CC2=C(O1)C=CC(=C2)OC)CC(=O)N3CCN(CC3)C4=NC=C(C=C4)Cl

InChI

InChI=1S/C23H29ClN4O3/c1-3-19-15-26(14-17-12-20(30-2)5-6-21(17)31-19)16-23(29)28-10-8-27(9-11-28)22-7-4-18(24)13-25-22/h4-7,12-13,19H,3,8-11,14-16H2,1-2H3