8-chloranyl-6-(4-oxidanylidene-4-piperidin-1-yl-butyl)pyrido[2,3-b][1,5]benzoxazepin-5-one

Systemtic Name: 8-chloranyl-6-(4-oxidanylidene-4-piperidin-1-yl-butyl)pyrido[2,3-b][1,5]benzoxazepin-5-one Openeye Name: 8-chloro-6-[4-oxo-4-(1-piperidyl)butyl]pyrido[2,3-b][1,5]benzoxazepin-5-one CAS Name: 8-chloro-6-[4-oxo-4-(1-piperidinyl)butyl]-5-pyrido[2,3-b][1,5]benzoxazepinone IUPAC Name: 8-chloro-6-(4-oxo-4-piperidin-1-ylbutyl)pyrido[2,3-b][1,5]benzoxazepin-5-one Traditional Name: 8-chloro-6-(4-keto-4-piperidino-butyl)pyrido[2,3-b][1,5]benzoxazepin-5-one Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CCCN2C3=C(C=CC(=C3)Cl)OC4=C(C2=O)C=CC=N4

Isomeric SMILES

C1CCN(CC1)C(=O)CCCN2C3=C(C=CC(=C3)Cl)OC4=C(C2=O)C=CC=N4

InChI

InChI=1S/C21H22ClN3O3/c22-15-8-9-18-17(14-15)25(21(27)16-6-4-10-23-20(16)28-18)13-5-7-19(26)24-11-2-1-3-12-24/h4,6,8-10,14H,1-3,5,7,11-13H2