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

Systemtic Name: 1-methyl-5-(5-methyl-2-oxidanylidene-5-phenyl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile Openeye Name: 1-methyl-5-(5-methyl-2-oxo-5-phenyl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile CAS Name: 1-methyl-5-(5-methyl-2-oxo-5-phenyl-1H-4,1-benzoxazepin-7-yl)-2-pyrrolecarbonitrile IUPAC Name: 1-methyl-5-(5-methyl-2-oxo-5-phenyl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile Traditional Name: 5-(2-keto-5-methyl-5-phenyl-1H-4,1-benzoxazepin-7-yl)-1-methyl-pyrrole-2-carbonitrile Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=O)CO1)C4=CC=CC=C4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=O)CO1)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2/c1-22(16-6-4-3-5-7-16)18-12-15(20-11-9-17(13-23)25(20)2)8-10-19(18)24-21(26)14-27-22/h3-12H,14H2,1-2H3,(H,24,26)