4-[3-(azepan-2-yl)propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-(azepan-2-yl)propoxy]benzenecarbonitrile Openeye Name: 4-[3-(azepan-2-yl)propoxy]benzonitrile CAS Name: 4-[3-(2-azepanyl)propoxy]benzonitrile IUPAC Name: 4-[3-(azepan-2-yl)propoxy]benzonitrile Traditional Name: 4-[3-(azepan-2-yl)propoxy]benzonitrile Formula: C16H22N2O MolecularWeight: 258.35868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NCC1)CCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CCC(NCC1)CCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H22N2O/c17-13-14-7-9-16(10-8-14)19-12-4-6-15-5-2-1-3-11-18-15/h7-10,15,18H,1-6,11-12H2