4-(8-methyl-5-oxidanylidene-pyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(thiophen-2-ylmethyl)butanamide

Systemtic Name: 4-(8-methyl-5-oxidanylidene-pyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(thiophen-2-ylmethyl)butanamide Openeye Name: 4-(8-methyl-5-oxo-pyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-thienylmethyl)butanamide CAS Name: 4-(8-methyl-5-oxo-6-pyrido[2,3-b][1,5]benzoxazepinyl)-N-(thiophen-2-ylmethyl)butanamide IUPAC Name: 4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(thiophen-2-ylmethyl)butanamide Traditional Name: 4-(5-keto-8-methyl-pyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-thenyl)butyramide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=CC=N3)C(=O)N2CCCC(=O)NCC4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=CC=N3)C(=O)N2CCCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C22H21N3O3S/c1-15-8-9-19-18(13-15)25(22(27)17-6-2-10-23-21(17)28-19)11-3-7-20(26)24-14-16-5-4-12-29-16/h2,4-6,8-10,12-13H,3,7,11,14H2,1H3,(H,24,26)