4-chloranyl-N-[2-ethyl-3-oxidanylidene-4-(1-phenylpropyl)-5H-1,4-benzoxazepin-7-yl]benzamide

Systemtic Name: 4-chloranyl-N-[2-ethyl-3-oxidanylidene-4-(1-phenylpropyl)-5H-1,4-benzoxazepin-7-yl]benzamide Openeye Name: 4-chloro-N-[2-ethyl-3-oxo-4-(1-phenylpropyl)-5H-1,4-benzoxazepin-7-yl]benzamide CAS Name: 4-chloro-N-[2-ethyl-3-oxo-4-(1-phenylpropyl)-5H-1,4-benzoxazepin-7-yl]benzamide IUPAC Name: 4-chloro-N-[2-ethyl-3-oxo-4-(1-phenylpropyl)-5H-1,4-benzoxazepin-7-yl]benzamide Traditional Name: 4-chloro-N-[2-ethyl-3-keto-4-(1-phenylpropyl)-5H-1,4-benzoxazepin-7-yl]benzamide Formula: C27H27ClN2O3 MolecularWeight: 462.96788

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl)C(CC)C4=CC=CC=C4

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl)C(CC)C4=CC=CC=C4

InChI

InChI=1S/C27H27ClN2O3/c1-3-23(18-8-6-5-7-9-18)30-17-20-16-22(14-15-25(20)33-24(4-2)27(30)32)29-26(31)19-10-12-21(28)13-11-19/h5-16,23-24H,3-4,17H2,1-2H3,(H,29,31)