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

Systemtic Name: 2-[5-[(3S)-3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl]-2-iodanyl-phenoxy]-4-(imidazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 2-[5-[(3S)-3-ethyl-1-methyl-2-oxo-azepan-3-yl]-2-iodo-phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile CAS Name: 2-[5-[(3S)-3-ethyl-1-methyl-2-oxo-3-azepanyl]-2-iodophenoxy]-4-(1-imidazolylmethyl)benzonitrile IUPAC Name: 2-[5-[(3S)-3-ethyl-1-methyl-2-oxoazepan-3-yl]-2-iodophenoxy]-4-(imidazol-1-ylmethyl)benzonitrile Traditional Name: 2-[5-[(3S)-3-ethyl-2-keto-1-methyl-azepan-3-yl]-2-iodo-phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile Formula: C26H27IN4O2 MolecularWeight: 554.42265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@]1(CCCCN(C1=O)C)C2=CC(=C(C=C2)I)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N

InChI

InChI=1S/C26H27IN4O2/c1-3-26(10-4-5-12-30(2)25(26)32)21-8-9-22(27)24(15-21)33-23-14-19(6-7-20(23)16-28)17-31-13-11-29-18-31/h6-9,11,13-15,18H,3-5,10,12,17H2,1-2H3/t26-/m0/s1