4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-N-(3-methylbutyl)-4-oxidanylidene-butanamide

Systemtic Name: 4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-N-(3-methylbutyl)-4-oxidanylidene-butanamide Openeye Name: N-isopentyl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxo-butanamide CAS Name: 4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-N-(3-methylbutyl)-4-oxobutanamide IUPAC Name: 4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-N-(3-methylbutyl)-4-oxobutanamide Traditional Name: N-isoamyl-4-keto-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butyramide Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CCC(=O)N1CC2=C(C(=CC=C2)OC)OC3=C1C=CC=N3

Isomeric SMILES

CC(C)CCNC(=O)CCC(=O)N1CC2=C(C(=CC=C2)OC)OC3=C1C=CC=N3

InChI

InChI=1S/C22H27N3O4/c1-15(2)11-13-23-19(26)9-10-20(27)25-14-16-6-4-8-18(28-3)21(16)29-22-17(25)7-5-12-24-22/h4-8,12,15H,9-11,13-14H2,1-3H3,(H,23,26)