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

Systemtic Name: 1-methyl-5-(5-methyl-2-oxidanylidene-5-pyridin-2-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile Openeye Name: 1-methyl-5-[5-methyl-2-oxo-5-(2-pyridyl)-1H-4,1-benzoxazepin-7-yl]pyrrole-2-carbonitrile CAS Name: 1-methyl-5-[5-methyl-2-oxo-5-(2-pyridinyl)-1H-4,1-benzoxazepin-7-yl]-2-pyrrolecarbonitrile IUPAC Name: 1-methyl-5-(5-methyl-2-oxo-5-pyridin-2-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile Traditional Name: 5-[2-keto-5-methyl-5-(2-pyridyl)-1H-4,1-benzoxazepin-7-yl]-1-methyl-pyrrole-2-carbonitrile Formula: C21H18N4O2 MolecularWeight: 358.39322

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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=N4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=O)CO1)C4=CC=CC=N4

InChI

InChI=1S/C21H18N4O2/c1-21(19-5-3-4-10-23-19)16-11-14(18-9-7-15(12-22)25(18)2)6-8-17(16)24-20(26)13-27-21/h3-11H,13H2,1-2H3,(H,24,26)