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

Systemtic Name: 1-methyl-5-(5-methyl-2-oxidanylidene-1,5-dihydro-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile Openeye Name: 1-methyl-5-(5-methyl-2-oxo-1,5-dihydro-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile CAS Name: 1-methyl-5-(5-methyl-2-oxo-1,5-dihydro-4,1-benzoxazepin-7-yl)-2-pyrrolecarbonitrile IUPAC Name: 1-methyl-5-(5-methyl-2-oxo-1,5-dihydro-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile Traditional Name: 5-(2-keto-5-methyl-1,5-dihydro-4,1-benzoxazepin-7-yl)-1-methyl-pyrrole-2-carbonitrile Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=O)CO1

Isomeric SMILES

CC1C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=O)CO1

InChI

InChI=1S/C16H15N3O2/c1-10-13-7-11(15-6-4-12(8-17)19(15)2)3-5-14(13)18-16(20)9-21-10/h3-7,10H,9H2,1-2H3,(H,18,20)