N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)pyridine-4-carboxamide

Systemtic Name: N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)pyridine-4-carboxamide Openeye Name: N-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)pyridine-4-carboxamide CAS Name: N-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-4-pyridinecarboxamide IUPAC Name: N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyridine-4-carboxamide Traditional Name: N-(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)isonicotinamide Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=CC=NC=C4)C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=CC=NC=C4)C(=O)N2C

InChI

InChI=1S/C21H17N3O3/c1-13-3-5-19-17(11-13)24(2)21(26)16-12-15(4-6-18(16)27-19)23-20(25)14-7-9-22-10-8-14/h3-12H,1-2H3,(H,23,25)