2-(azepan-1-ylcarbonyl)-3-[4-[bis(fluoranyl)methoxy]phenyl]prop-2-enenitrile

Systemtic Name: 2-(azepan-1-ylcarbonyl)-3-[4-[bis(fluoranyl)methoxy]phenyl]prop-2-enenitrile Openeye Name: 2-(azepane-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile CAS Name: 2-[1-azepanyl(oxo)methyl]-3-[4-(difluoromethoxy)phenyl]-2-propenenitrile IUPAC Name: 2-(azepane-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile Traditional Name: 2-(azepane-1-carbonyl)-3-[4-(difluoromethoxy)phenyl]acrylonitrile Formula: C17H18F2N2O2 MolecularWeight: 320.333826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CC=C(C=C2)OC(F)F)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C(=CC2=CC=C(C=C2)OC(F)F)C#N

InChI

InChI=1S/C17H18F2N2O2/c18-17(19)23-15-7-5-13(6-8-15)11-14(12-20)16(22)21-9-3-1-2-4-10-21/h5-8,11,17H,1-4,9-10H2