5-(2-oxidanylidenespiro[1H-4,1-benzoxazepine-5,1'-cyclohexane]-7-yl)-1H-pyrrole-2-carbonitrile

Systemtic Name: 5-(2-oxidanylidenespiro[1H-4,1-benzoxazepine-5,1'-cyclohexane]-7-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 5-(2-oxospiro[1H-4,1-benzoxazepine-5,1'-cyclohexane]-7-yl)-1H-pyrrole-2-carbonitrile CAS Name: 5-(2-oxo-7-spiro[1H-4,1-benzoxazepine-5,1'-cyclohexane]yl)-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(2-oxospiro[1H-4,1-benzoxazepine-5,1'-cyclohexane]-7-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 5-(2-ketospiro[1H-4,1-benzoxazepine-5,1'-cyclohexane]-7-yl)-1H-pyrrole-2-carbonitrile Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C3=C(C=CC(=C3)C4=CC=C(N4)C#N)NC(=O)CO2

Isomeric SMILES

C1CCC2(CC1)C3=C(C=CC(=C3)C4=CC=C(N4)C#N)NC(=O)CO2

InChI

InChI=1S/C19H19N3O2/c20-11-14-5-7-16(21-14)13-4-6-17-15(10-13)19(8-2-1-3-9-19)24-12-18(23)22-17/h4-7,10,21H,1-3,8-9,12H2,(H,22,23)