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

Systemtic Name: 5-(5-methyl-2-oxidanylidene-5-pyridin-2-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 5-[5-methyl-2-oxo-5-(2-pyridyl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile CAS Name: 5-[5-methyl-2-oxo-5-(2-pyridinyl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(5-methyl-2-oxo-5-pyridin-2-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 5-[2-keto-5-methyl-5-(2-pyridyl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile Formula: C20H16N4O2 MolecularWeight: 344.36664

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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=N4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=O)CO1)C4=CC=CC=N4

InChI

InChI=1S/C20H16N4O2/c1-20(18-4-2-3-9-22-18)15-10-13(16-8-6-14(11-21)23-16)5-7-17(15)24-19(25)12-26-20/h2-10,23H,12H2,1H3,(H,24,25)