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

Systemtic Name: 4-[1-azanyl-1-(3-methylimidazol-4-yl)ethyl]-2-[3-(1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]benzenecarbonitrile Openeye Name: 4-[1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-[3-(1-methyl-2-oxo-azepan-3-yl)phenoxy]benzonitrile CAS Name: 4-[1-amino-1-(3-methyl-4-imidazolyl)ethyl]-2-[3-(1-methyl-2-oxo-3-azepanyl)phenoxy]benzonitrile IUPAC Name: 4-[1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-[3-(1-methyl-2-oxoazepan-3-yl)phenoxy]benzonitrile Traditional Name: 4-[1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-[3-(2-keto-1-methyl-azepan-3-yl)phenoxy]benzonitrile Formula: C26H29N5O2 MolecularWeight: 443.54076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C#N)OC2=CC=CC(=C2)C3CCCCN(C3=O)C)(C4=CN=CN4C)N

Isomeric SMILES

CC(C1=CC(=C(C=C1)C#N)OC2=CC=CC(=C2)C3CCCCN(C3=O)C)(C4=CN=CN4C)N

InChI

InChI=1S/C26H29N5O2/c1-26(28,24-16-29-17-31(24)3)20-11-10-19(15-27)23(14-20)33-21-8-6-7-18(13-21)22-9-4-5-12-30(2)25(22)32/h6-8,10-11,13-14,16-17,22H,4-5,9,12,28H2,1-3H3