4-(imidazol-1-ylmethyl)-2-[3-(2-oxidanylideneazepan-1-yl)phenoxy]benzenecarbonitrile

Systemtic Name: 4-(imidazol-1-ylmethyl)-2-[3-(2-oxidanylideneazepan-1-yl)phenoxy]benzenecarbonitrile Openeye Name: 4-(imidazol-1-ylmethyl)-2-[3-(2-oxoazepan-1-yl)phenoxy]benzonitrile CAS Name: 4-(1-imidazolylmethyl)-2-[3-(2-oxo-1-azepanyl)phenoxy]benzonitrile IUPAC Name: 4-(imidazol-1-ylmethyl)-2-[3-(2-oxoazepan-1-yl)phenoxy]benzonitrile Traditional Name: 4-(imidazol-1-ylmethyl)-2-[3-(2-ketoazepan-1-yl)phenoxy]benzonitrile Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N

Isomeric SMILES

C1CCC(=O)N(CC1)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N

InChI

InChI=1S/C23H22N4O2/c24-15-19-9-8-18(16-26-12-10-25-17-26)13-22(19)29-21-6-4-5-20(14-21)27-11-3-1-2-7-23(27)28/h4-6,8-10,12-14,17H,1-3,7,11,16H2