2-[4-[(E)-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxo-prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-3-oxoprop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxoprop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-keto-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-1-enyl]phenoxy]acetonitrile Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C=CC3=CC=C(C=C3)OCC#N

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)/C=C/C3=CC=C(C=C3)OCC#N

InChI

InChI=1S/C22H25N3O2/c1-24-15-5-7-20(24)21-6-3-2-4-16-25(21)22(26)13-10-18-8-11-19(12-9-18)27-17-14-23/h5,7-13,15,21H,2-4,6,16-17H2,1H3/b13-10+