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

Systemtic Name: 4-[[5-(2-azanylethyl)-2-methyl-imidazol-1-yl]methyl]-2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]benzenecarbonitrile Openeye Name: 4-[[5-(2-aminoethyl)-2-methyl-imidazol-1-yl]methyl]-2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenoxy]benzonitrile CAS Name: 4-[[5-(2-aminoethyl)-2-methyl-1-imidazolyl]methyl]-2-[3-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenoxy]benzonitrile IUPAC Name: 4-[[5-(2-aminoethyl)-2-methylimidazol-1-yl]methyl]-2-[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]benzonitrile Traditional Name: 4-[[5-(2-aminoethyl)-2-methyl-imidazol-1-yl]methyl]-2-[3-(3-ethyl-2-keto-1-methyl-azepan-3-yl)phenoxy]benzonitrile Formula: C29H35N5O2 MolecularWeight: 485.6205

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C(=NC=C4CCN)C)C#N

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C(=NC=C4CCN)C)C#N

InChI

InChI=1S/C29H35N5O2/c1-4-29(13-5-6-15-33(3)28(29)35)24-8-7-9-26(17-24)36-27-16-22(10-11-23(27)18-31)20-34-21(2)32-19-25(34)12-14-30/h7-11,16-17,19H,4-6,12-15,20,30H2,1-3H3