4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-7-oxidanylidene-azepan-2-yl)phenoxy]benzenecarbonitrile

Systemtic Name: 4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-7-oxidanylidene-azepan-2-yl)phenoxy]benzenecarbonitrile Openeye Name: 4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-7-oxo-azepan-2-yl)phenoxy]benzonitrile CAS Name: 4-(1-imidazolylmethyl)-2-[3-(1-methyl-7-oxo-2-azepanyl)phenoxy]benzonitrile IUPAC Name: 4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-7-oxoazepan-2-yl)phenoxy]benzonitrile Traditional Name: 4-(imidazol-1-ylmethyl)-2-[3-(7-keto-1-methyl-azepan-2-yl)phenoxy]benzonitrile Formula: C24H24N4O2 MolecularWeight: 400.47296

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CCCCC1=O)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N

Isomeric SMILES

CN1C(CCCCC1=O)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N

InChI

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