5-(1-ethanoyl-5,5-dimethyl-2,3-dihydro-4,1-benzoxazepin-7-yl)-1-methyl-pyrrole-2-carbonitrile

Systemtic Name: 5-(1-ethanoyl-5,5-dimethyl-2,3-dihydro-4,1-benzoxazepin-7-yl)-1-methyl-pyrrole-2-carbonitrile Openeye Name: 5-(1-acetyl-5,5-dimethyl-2,3-dihydro-4,1-benzoxazepin-7-yl)-1-methyl-pyrrole-2-carbonitrile CAS Name: 5-(1-acetyl-5,5-dimethyl-2,3-dihydro-4,1-benzoxazepin-7-yl)-1-methyl-2-pyrrolecarbonitrile IUPAC Name: 5-(1-acetyl-5,5-dimethyl-2,3-dihydro-4,1-benzoxazepin-7-yl)-1-methylpyrrole-2-carbonitrile Traditional Name: 5-(1-acetyl-5,5-dimethyl-2,3-dihydro-4,1-benzoxazepin-7-yl)-1-methyl-pyrrole-2-carbonitrile Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCOC(C2=C1C=CC(=C2)C3=CC=C(N3C)C#N)(C)C

Isomeric SMILES

CC(=O)N1CCOC(C2=C1C=CC(=C2)C3=CC=C(N3C)C#N)(C)C

InChI

InChI=1S/C19H21N3O2/c1-13(23)22-9-10-24-19(2,3)16-11-14(5-7-18(16)22)17-8-6-15(12-20)21(17)4/h5-8,11H,9-10H2,1-4H3