2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-(1H-imidazol-5-ylmethyl)benzenecarbonitrile

Systemtic Name: 2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-(1H-imidazol-5-ylmethyl)benzenecarbonitrile Openeye Name: 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenoxy]-4-(1H-imidazol-5-ylmethyl)benzonitrile CAS Name: 2-[3-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenoxy]-4-(1H-imidazol-5-ylmethyl)benzonitrile IUPAC Name: 2-[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]-4-(1H-imidazol-5-ylmethyl)benzonitrile Traditional Name: 2-[3-(3-ethyl-2-keto-1-methyl-azepan-3-yl)phenoxy]-4-(1H-imidazol-5-ylmethyl)benzonitrile Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CC4=CN=CN4)C#N

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CC4=CN=CN4)C#N

InChI

InChI=1S/C26H28N4O2/c1-3-26(11-4-5-12-30(2)25(26)31)21-7-6-8-23(15-21)32-24-14-19(9-10-20(24)16-27)13-22-17-28-18-29-22/h6-10,14-15,17-18H,3-5,11-13H2,1-2H3,(H,28,29)