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

Systemtic Name: 4-[azanyl-(3-methylimidazol-4-yl)methyl]-2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]benzenecarbonitrile Openeye Name: 4-[amino-(3-methylimidazol-4-yl)methyl]-2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenoxy]benzonitrile CAS Name: 4-[amino-(3-methyl-4-imidazolyl)methyl]-2-[3-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenoxy]benzonitrile IUPAC Name: 4-[amino-(3-methylimidazol-4-yl)methyl]-2-[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]benzonitrile Traditional Name: 4-[amino-(3-methylimidazol-4-yl)methyl]-2-[3-(3-ethyl-2-keto-1-methyl-azepan-3-yl)phenoxy]benzonitrile Formula: C27H31N5O2 MolecularWeight: 457.56734

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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(C4=CN=CN4C)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O2/c1-4-27(12-5-6-13-31(2)26(27)33)21-8-7-9-22(15-21)34-24-14-19(10-11-20(24)16-28)25(29)23-17-30-18-32(23)3/h7-11,14-15,17-18,25H,4-6,12-13,29H2,1-3H3