4-[1-cyclobutylcarbonyl-4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[1-cyclobutylcarbonyl-4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[1-(cyclobutanecarbonyl)-4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carbonyl]benzonitrile CAS Name: 4-[[1-[cyclobutyl(oxo)methyl]-4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-[oxo(1-piperazinyl)methyl]-3-pyrrolidinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[1-(cyclobutanecarbonyl)-4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carbonyl]benzonitrile Traditional Name: 4-[1-(cyclobutanecarbonyl)-4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carbonyl]benzonitrile Formula: C36H37FN4O5 MolecularWeight: 624.701183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)C4CCC4)C5=CC=C(C=C5)F)C(=O)C6=CC=C(C=C6)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)C4CCC4)C5=CC=C(C=C5)F)C(=O)C6=CC=C(C=C6)C#N)OC

InChI

InChI=1S/C36H37FN4O5/c1-45-28-15-12-26(20-29(28)46-2)30-31(34(42)24-8-6-22(21-38)7-9-24)32(23-10-13-27(37)14-11-23)41(35(43)25-4-3-5-25)33(30)36(44)40-18-16-39-17-19-40/h6-15,20,25,30-33,39H,3-5,16-19H2,1-2H3