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

Systemtic Name: 4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]benzenecarbonitrile Openeye Name: 4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-2-oxo-azepan-3-yl)phenoxy]benzonitrile CAS Name: 4-(1-imidazolylmethyl)-2-[3-(1-methyl-2-oxo-3-azepanyl)phenoxy]benzonitrile IUPAC Name: 4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-2-oxoazepan-3-yl)phenoxy]benzonitrile Traditional Name: 4-(imidazol-1-ylmethyl)-2-[3-(2-keto-1-methyl-azepan-3-yl)phenoxy]benzonitrile Formula: C24H24N4O2 MolecularWeight: 400.47296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O2/c1-27-11-3-2-7-22(24(27)29)19-5-4-6-21(14-19)30-23-13-18(8-9-20(23)15-25)16-28-12-10-26-17-28/h4-6,8-10,12-14,17,22H,2-3,7,11,16H2,1H3