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

Systemtic Name: 3-[3-[2,7-bis(oxidanylidene)azepan-1-yl]propoxy]benzenecarbonitrile Openeye Name: 3-[3-(2,7-dioxoazepan-1-yl)propoxy]benzonitrile CAS Name: 3-[3-(2,7-dioxo-1-azepanyl)propoxy]benzonitrile IUPAC Name: 3-[3-(2,7-dioxoazepan-1-yl)propoxy]benzonitrile Traditional Name: 3-[3-(2,7-diketoazepan-1-yl)propoxy]benzonitrile Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)CCCOC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)CCCOC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H18N2O3/c17-12-13-5-3-6-14(11-13)21-10-4-9-18-15(19)7-1-2-8-16(18)20/h3,5-6,11H,1-2,4,7-10H2