2-[3-(3-ethylazepan-3-yl)phenoxy]-4-(imidazol-1-ylmethyl)benzenecarbonitrile dihydrochloride

Systemtic Name: 2-[3-(3-ethylazepan-3-yl)phenoxy]-4-(imidazol-1-ylmethyl)benzenecarbonitrile dihydrochloride Openeye Name: 2-[3-(3-ethylazepan-3-yl)phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile dihydrochloride CAS Name: 2-[3-(3-ethyl-3-azepanyl)phenoxy]-4-(1-imidazolylmethyl)benzonitrile dihydrochloride IUPAC Name: 2-[3-(3-ethylazepan-3-yl)phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile dihydrochloride Traditional Name: 2-[3-(3-ethylazepan-3-yl)phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile dihydrochloride Formula: C25H30Cl2N4O MolecularWeight: 473.4379

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCNC1)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N.Cl.Cl

Isomeric SMILES

CCC1(CCCCNC1)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N.Cl.Cl

InChI

InChI=1S/C25H28N4O.2ClH/c1-2-25(10-3-4-11-27-18-25)22-6-5-7-23(15-22)30-24-14-20(8-9-21(24)16-26)17-29-13-12-28-19-29;;/h5-9,12-15,19,27H,2-4,10-11,17-18H2,1H3;2*1H