3-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(2,7-dioxoazepan-1-yl)methyl]benzonitrile CAS Name: 3-[(2,7-dioxo-1-azepanyl)methyl]benzonitrile IUPAC Name: 3-[(2,7-dioxoazepan-1-yl)methyl]benzonitrile Traditional Name: 3-[(2,7-diketoazepan-1-yl)methyl]benzonitrile Formula: C14H14N2O2 MolecularWeight: 242.27316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H14N2O2/c15-9-11-4-3-5-12(8-11)10-16-13(17)6-1-2-7-14(16)18/h3-5,8H,1-2,6-7,10H2