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

Systemtic Name: 5-(5-methyl-2-oxidanylidene-1,5-dihydro-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 5-(5-methyl-2-oxo-1,5-dihydro-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile CAS Name: 5-(5-methyl-2-oxo-1,5-dihydro-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(5-methyl-2-oxo-1,5-dihydro-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 5-(2-keto-5-methyl-1,5-dihydro-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Formula: C15H13N3O2 MolecularWeight: 267.28262

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=O)CO1

Isomeric SMILES

CC1C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=O)CO1

InChI

InChI=1S/C15H13N3O2/c1-9-12-6-10(13-5-3-11(7-16)17-13)2-4-14(12)18-15(19)8-20-9/h2-6,9,17H,8H2,1H3,(H,18,19)