1-(5,5-dimethyl-2-oxidanylidene-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile

Systemtic Name: 1-(5,5-dimethyl-2-oxidanylidene-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile Openeye Name: 1-(5,5-dimethyl-2-oxo-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile CAS Name: 1-(5,5-dimethyl-2-oxo-1H-4,1-benzoxazepin-7-yl)-2-pyrrolecarbonitrile IUPAC Name: 1-(5,5-dimethyl-2-oxo-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile Traditional Name: 1-(2-keto-5,5-dimethyl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)N3C=CC=C3C#N)NC(=O)CO1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)N3C=CC=C3C#N)NC(=O)CO1)C

InChI

InChI=1S/C16H15N3O2/c1-16(2)13-8-11(19-7-3-4-12(19)9-17)5-6-14(13)18-15(20)10-21-16/h3-8H,10H2,1-2H3,(H,18,20)