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

Systemtic Name: 3-[2-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-(1,2,4-triazol-4-ylmethyl)benzenecarbonitrile Openeye Name: 3-[2-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenoxy]-4-(1,2,4-triazol-4-ylmethyl)benzonitrile CAS Name: 3-[2-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenoxy]-4-(1,2,4-triazol-4-ylmethyl)benzonitrile IUPAC Name: 3-[2-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]-4-(1,2,4-triazol-4-ylmethyl)benzonitrile Traditional Name: 3-[2-(3-ethyl-2-keto-1-methyl-azepan-3-yl)phenoxy]-4-(1,2,4-triazol-4-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=C2OC3=C(C=CC(=C3)C#N)CN4C=NN=C4

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=CC=CC=C2OC3=C(C=CC(=C3)C#N)CN4C=NN=C4

InChI

InChI=1S/C25H27N5O2/c1-3-25(12-6-7-13-29(2)24(25)31)21-8-4-5-9-22(21)32-23-14-19(15-26)10-11-20(23)16-30-17-27-28-18-30/h4-5,8-11,14,17-18H,3,6-7,12-13,16H2,1-2H3