2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-[(5-methylimidazol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-[(5-methylimidazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenoxy]-4-[(5-methylimidazol-1-yl)methyl]benzonitrile CAS Name: 2-[3-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenoxy]-4-[(5-methyl-1-imidazolyl)methyl]benzonitrile IUPAC Name: 2-[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]-4-[(5-methylimidazol-1-yl)methyl]benzonitrile Traditional Name: 2-[3-(3-ethyl-2-keto-1-methyl-azepan-3-yl)phenoxy]-4-[(5-methylimidazol-1-yl)methyl]benzonitrile Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=NC=C4C)C#N

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=NC=C4C)C#N

InChI

InChI=1S/C27H30N4O2/c1-4-27(12-5-6-13-30(3)26(27)32)23-8-7-9-24(15-23)33-25-14-21(10-11-22(25)16-28)18-31-19-29-17-20(31)2/h7-11,14-15,17,19H,4-6,12-13,18H2,1-3H3