4-[(E)-3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-keto-3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]prop-1-enyl]benzonitrile Formula: C23H24N2O2 MolecularWeight: 360.44886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C=CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)/C=C/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H24N2O2/c1-27-21-13-11-20(12-14-21)22-5-3-2-4-16-25(22)23(26)15-10-18-6-8-19(17-24)9-7-18/h6-15,22H,2-5,16H2,1H3/b15-10+/t22-/m1/s1