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

Systemtic Name: 4-[1-azanyl-1-(3-methylimidazol-4-yl)ethyl]-2-[3-(3-ethyl-2-oxidanylidene-1-propyl-azepan-3-yl)phenoxy]benzenecarbonitrile Openeye Name: 4-[1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-[3-(3-ethyl-2-oxo-1-propyl-azepan-3-yl)phenoxy]benzonitrile CAS Name: 4-[1-amino-1-(3-methyl-4-imidazolyl)ethyl]-2-[3-(3-ethyl-2-oxo-1-propyl-3-azepanyl)phenoxy]benzonitrile IUPAC Name: 4-[1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-[3-(3-ethyl-2-oxo-1-propylazepan-3-yl)phenoxy]benzonitrile Traditional Name: 4-[1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-[3-(3-ethyl-2-keto-1-propyl-azepan-3-yl)phenoxy]benzonitrile Formula: C30H37N5O2 MolecularWeight: 499.64708

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCCC(C1=O)(CC)C2=CC(=CC=C2)OC3=C(C=CC(=C3)C(C)(C4=CN=CN4C)N)C#N

Isomeric SMILES

CCCN1CCCCC(C1=O)(CC)C2=CC(=CC=C2)OC3=C(C=CC(=C3)C(C)(C4=CN=CN4C)N)C#N

InChI

InChI=1S/C30H37N5O2/c1-5-15-35-16-8-7-14-30(6-2,28(35)36)24-10-9-11-25(17-24)37-26-18-23(13-12-22(26)19-31)29(3,32)27-20-33-21-34(27)4/h9-13,17-18,20-21H,5-8,14-16,32H2,1-4H3