1-(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)-6-pyridin-4-yl-hexane-1,4-dione

Systemtic Name: 1-(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)-6-pyridin-4-yl-hexane-1,4-dione Openeye Name: 1-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-6-(4-pyridyl)hexane-1,4-dione CAS Name: 1-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-6-pyridin-4-ylhexane-1,4-dione IUPAC Name: 1-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-6-pyridin-4-ylhexane-1,4-dione Traditional Name: 1-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-6-(4-pyridyl)hexane-1,4-dione Formula: C24H21ClN2O3 MolecularWeight: 420.88814

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1C(=O)CCC(=O)CCC4=CC=NC=C4)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1C(=O)CCC(=O)CCC4=CC=NC=C4)C=C(C=C3)Cl

InChI

InChI=1S/C24H21ClN2O3/c25-19-6-9-23-21(15-19)27(16-18-3-1-2-4-22(18)30-23)24(29)10-8-20(28)7-5-17-11-13-26-14-12-17/h1-4,6,9,11-15H,5,7-8,10,16H2