2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile

Systemtic Name: 2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenoxy]-4-(1,2,4-triazol-1-ylmethyl)benzonitrile CAS Name: 2-[3-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenoxy]-4-(1,2,4-triazol-1-ylmethyl)benzonitrile IUPAC Name: 2-[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]-4-(1,2,4-triazol-1-ylmethyl)benzonitrile Traditional Name: 2-[3-(3-ethyl-2-keto-1-methyl-azepan-3-yl)phenoxy]-4-(1,2,4-triazol-1-ylmethyl)benzonitrile Formula: C25H27N5O2 MolecularWeight: 429.51418

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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=N4)C#N

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=NC=N4)C#N

InChI

InChI=1S/C25H27N5O2/c1-3-25(11-4-5-12-29(2)24(25)31)21-7-6-8-22(14-21)32-23-13-19(9-10-20(23)15-26)16-30-18-27-17-28-30/h6-10,13-14,17-18H,3-5,11-12,16H2,1-2H3