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

Systemtic Name: 5-(5-methyl-2-oxidanylidene-5-phenyl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 5-(5-methyl-2-oxo-5-phenyl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile CAS Name: 5-(5-methyl-2-oxo-5-phenyl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(5-methyl-2-oxo-5-phenyl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 5-(2-keto-5-methyl-5-phenyl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Formula: C21H17N3O2 MolecularWeight: 343.37858

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=O)CO1)C4=CC=CC=C4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=O)CO1)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2/c1-21(15-5-3-2-4-6-15)17-11-14(18-10-8-16(12-22)23-18)7-9-19(17)24-20(25)13-26-21/h2-11,23H,13H2,1H3,(H,24,25)