4-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(2,7-dioxoazepan-1-yl)methyl]benzonitrile CAS Name: 4-[(2,7-dioxo-1-azepanyl)methyl]benzonitrile IUPAC Name: 4-[(2,7-dioxoazepan-1-yl)methyl]benzonitrile Traditional Name: 4-[(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=C(C=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O2/c15-9-11-5-7-12(8-6-11)10-16-13(17)3-1-2-4-14(16)18/h5-8H,1-4,10H2