2-[3-(3-butyl-1-methyl-2-oxidanylidene-azocan-3-yl)phenoxy]-4-[2-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzenecarbonitrile

Systemtic Name: 2-[3-(3-butyl-1-methyl-2-oxidanylidene-azocan-3-yl)phenoxy]-4-[2-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzenecarbonitrile Openeye Name: 2-[3-(3-butyl-1-methyl-2-oxo-azocan-3-yl)phenoxy]-4-[2-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzonitrile CAS Name: 2-[3-(3-butyl-1-methyl-2-oxo-3-azocanyl)phenoxy]-4-[2-(3-methyl-4-imidazolyl)-2-pyrrolidinyl]benzonitrile IUPAC Name: 2-[3-(3-butyl-1-methyl-2-oxoazocan-3-yl)phenoxy]-4-[2-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzonitrile Traditional Name: 2-[3-(3-butyl-2-keto-1-methyl-azocan-3-yl)phenoxy]-4-[2-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzonitrile Formula: C33H41N5O2 MolecularWeight: 539.71094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)C4(CCCN4)C5=CN=CN5C)C#N

Isomeric SMILES

CCCCC1(CCCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)C4(CCCN4)C5=CN=CN5C)C#N

InChI

InChI=1S/C33H41N5O2/c1-4-5-15-32(16-7-6-8-19-37(2)31(32)39)26-11-9-12-28(20-26)40-29-21-27(14-13-25(29)22-34)33(17-10-18-36-33)30-23-35-24-38(30)3/h9,11-14,20-21,23-24,36H,4-8,10,15-19H2,1-3H3