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

Systemtic Name: 2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-[1-(3-methylimidazol-4-yl)cyclopropyl]benzenecarbonitrile Openeye Name: 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenoxy]-4-[1-(3-methylimidazol-4-yl)cyclopropyl]benzonitrile CAS Name: 2-[3-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenoxy]-4-[1-(3-methyl-4-imidazolyl)cyclopropyl]benzonitrile IUPAC Name: 2-[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]-4-[1-(3-methylimidazol-4-yl)cyclopropyl]benzonitrile Traditional Name: 2-[3-(3-ethyl-2-keto-1-methyl-azepan-3-yl)phenoxy]-4-[1-(3-methylimidazol-4-yl)cyclopropyl]benzonitrile Formula: C29H32N4O2 MolecularWeight: 468.58998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)C4(CC4)C5=CN=CN5C)C#N

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)C4(CC4)C5=CN=CN5C)C#N

InChI

InChI=1S/C29H32N4O2/c1-4-28(12-5-6-15-32(2)27(28)34)22-8-7-9-24(16-22)35-25-17-23(11-10-21(25)18-30)29(13-14-29)26-19-31-20-33(26)3/h7-11,16-17,19-20H,4-6,12-15H2,1-3H3