2-pentanoylpyrrolo[2,1-b][3]benzazepin-11-one

Systemtic Name: 2-pentanoylpyrrolo[2,1-b][3]benzazepin-11-one Openeye Name: 2-pentanoylpyrrolo[2,1-b][3]benzazepin-11-one CAS Name: 2-(1-oxopentyl)-11-pyrrolo[2,1-b][3]benzazepinone IUPAC Name: 2-pentanoylpyrrolo[2,1-b][3]benzazepin-11-one Traditional Name: 2-valerylpyrrolo[2,1-b][3]benzazepin-11-one Formula: C18H17NO2 MolecularWeight: 279.33308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CN2C=CC3=CC=CC=C3C(=O)C2=C1

Isomeric SMILES

CCCCC(=O)C1=CN2C=CC3=CC=CC=C3C(=O)C2=C1

InChI

InChI=1S/C18H17NO2/c1-2-3-8-17(20)14-11-16-18(21)15-7-5-4-6-13(15)9-10-19(16)12-14/h4-7,9-12H,2-3,8H2,1H3