2-[3-[3-(hydroxymethyl)-1-methyl-2-oxidanylidene-azepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzenecarbonitrile

Systemtic Name: 2-[3-[3-(hydroxymethyl)-1-methyl-2-oxidanylidene-azepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 2-[3-[3-(hydroxymethyl)-1-methyl-2-oxo-azepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile CAS Name: 2-[3-[3-(hydroxymethyl)-1-methyl-2-oxo-3-azepanyl]phenoxy]-4-(1-imidazolylmethyl)benzonitrile IUPAC Name: 2-[3-[3-(hydroxymethyl)-1-methyl-2-oxoazepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile Traditional Name: 4-(imidazol-1-ylmethyl)-2-[3-(2-keto-1-methyl-3-methylol-azepan-3-yl)phenoxy]benzonitrile Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC(C1=O)(CO)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N

Isomeric SMILES

CN1CCCCC(C1=O)(CO)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N

InChI

InChI=1S/C25H26N4O3/c1-28-11-3-2-9-25(17-30,24(28)31)21-5-4-6-22(14-21)32-23-13-19(7-8-20(23)15-26)16-29-12-10-27-18-29/h4-8,10,12-14,18,30H,2-3,9,11,16-17H2,1H3