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

Systemtic Name: 2-[3-[2,7-bis(oxidanylidene)azepan-1-yl]propoxy]benzenecarbonitrile Openeye Name: 2-[3-(2,7-dioxoazepan-1-yl)propoxy]benzonitrile CAS Name: 2-[3-(2,7-dioxo-1-azepanyl)propoxy]benzonitrile IUPAC Name: 2-[3-(2,7-dioxoazepan-1-yl)propoxy]benzonitrile Traditional Name: 2-[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=C2C#N

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)CCCOC2=CC=CC=C2C#N

InChI

InChI=1S/C16H18N2O3/c17-12-13-6-1-2-7-14(13)21-11-5-10-18-15(19)8-3-4-9-16(18)20/h1-2,6-7H,3-5,8-11H2