2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-[1-(3-methylimidazol-4-yl)ethenyl]benzenecarbonitrile

Systemtic Name: 2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-[1-(3-methylimidazol-4-yl)ethenyl]benzenecarbonitrile Openeye Name: 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenoxy]-4-[1-(3-methylimidazol-4-yl)vinyl]benzonitrile CAS Name: 2-[3-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenoxy]-4-[1-(3-methyl-4-imidazolyl)ethenyl]benzonitrile IUPAC Name: 2-[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]-4-[1-(3-methylimidazol-4-yl)ethenyl]benzonitrile Traditional Name: 2-[3-(3-ethyl-2-keto-1-methyl-azepan-3-yl)phenoxy]-4-[1-(3-methylimidazol-4-yl)vinyl]benzonitrile Formula: C28H30N4O2 MolecularWeight: 454.5634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)C(=C)C4=CN=CN4C)C#N

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)C(=C)C4=CN=CN4C)C#N

InChI

InChI=1S/C28H30N4O2/c1-5-28(13-6-7-14-31(3)27(28)33)23-9-8-10-24(16-23)34-26-15-21(11-12-22(26)17-29)20(2)25-18-30-19-32(25)4/h8-12,15-16,18-19H,2,5-7,13-14H2,1,3-4H3