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

Systemtic Name: 4-(imidazol-1-ylmethyl)-2-[3-[3-(methoxymethyl)-1-methyl-2-oxidanylidene-azepan-3-yl]phenoxy]benzenecarbonitrile Openeye Name: 4-(imidazol-1-ylmethyl)-2-[3-[3-(methoxymethyl)-1-methyl-2-oxo-azepan-3-yl]phenoxy]benzonitrile CAS Name: 4-(1-imidazolylmethyl)-2-[3-[3-(methoxymethyl)-1-methyl-2-oxo-3-azepanyl]phenoxy]benzonitrile IUPAC Name: 4-(imidazol-1-ylmethyl)-2-[3-[3-(methoxymethyl)-1-methyl-2-oxoazepan-3-yl]phenoxy]benzonitrile Traditional Name: 4-(imidazol-1-ylmethyl)-2-[3-[2-keto-3-(methoxymethyl)-1-methyl-azepan-3-yl]phenoxy]benzonitrile Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O3/c1-29-12-4-3-10-26(18-32-2,25(29)31)22-6-5-7-23(15-22)33-24-14-20(8-9-21(24)16-27)17-30-13-11-28-19-30/h5-9,11,13-15,19H,3-4,10,12,17-18H2,1-2H3