2-chloranyl-N-[3-oxidanylidene-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]pyridine-3-carboxamide

Systemtic Name: 2-chloranyl-N-[3-oxidanylidene-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]pyridine-3-carboxamide Openeye Name: N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-chloro-pyridine-3-carboxamide CAS Name: 2-chloro-N-[3-oxo-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]-3-pyridinecarboxamide IUPAC Name: N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-chloropyridine-3-carboxamide Traditional Name: N-(4-benzyl-3-keto-5H-1,4-benzoxazepin-7-yl)-2-chloro-nicotinamide Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)NC(=O)C3=C(N=CC=C3)Cl)OCC(=O)N1CC4=CC=CC=C4

Isomeric SMILES

C1C2=C(C=CC(=C2)NC(=O)C3=C(N=CC=C3)Cl)OCC(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3O3/c23-21-18(7-4-10-24-21)22(28)25-17-8-9-19-16(11-17)13-26(20(27)14-29-19)12-15-5-2-1-3-6-15/h1-11H,12-14H2,(H,25,28)