2-[4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-[4-(1-azepanyl)phenyl]-1-oxoprop-2-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-[4-(azepan-1-yl)phenyl]acryloyl]phenoxy]acetonitrile Formula: C23H24N2O2 MolecularWeight: 360.44886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=CC(=O)C3=CC=C(C=C3)OCC#N

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)OCC#N

InChI

InChI=1S/C23H24N2O2/c24-15-18-27-22-12-8-20(9-13-22)23(26)14-7-19-5-10-21(11-6-19)25-16-3-1-2-4-17-25/h5-14H,1-4,16-18H2/b14-7+