1-methyl-4-oxidanylidene-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]quinoline-3-carboxamide

Systemtic Name: 1-methyl-4-oxidanylidene-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]quinoline-3-carboxamide Openeye Name: 1-methyl-4-oxo-N-[2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]quinoline-3-carboxamide CAS Name: 1-methyl-4-oxo-N-[2-[2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-3-quinolinecarboxamide IUPAC Name: 1-methyl-4-oxo-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]quinoline-3-carboxamide Traditional Name: 4-keto-1-methyl-N-[2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]quinoline-3-carboxamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC=CC=C21)C(=O)NCCN3CC(OC4=CC=CC=C4C3)C5=CSC=C5

Isomeric SMILES

CN1C=C(C(=O)C2=CC=CC=C21)C(=O)NCCN3CC(OC4=CC=CC=C4C3)C5=CSC=C5

InChI

InChI=1S/C26H25N3O3S/c1-28-15-21(25(30)20-7-3-4-8-22(20)28)26(31)27-11-12-29-14-18-6-2-5-9-23(18)32-24(16-29)19-10-13-33-17-19/h2-10,13,15,17,24H,11-12,14,16H2,1H3,(H,27,31)