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

Systemtic Name: 4-[1-cyclopropylcarbonyl-4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[1-(cyclopropanecarbonyl)-4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carbonyl]benzonitrile CAS Name: 4-[[1-[cyclopropyl(oxo)methyl]-4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-[oxo(1-piperazinyl)methyl]-3-pyrrolidinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[1-(cyclopropanecarbonyl)-4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carbonyl]benzonitrile Traditional Name: 4-[1-(cyclopropanecarbonyl)-4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carbonyl]benzonitrile Formula: C35H35FN4O5 MolecularWeight: 610.674603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)C4CC4)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)C4CC4)C5=CC=C(C=C5)F)C(=O)C6=CC=C(C=C6)C#N)OC

InChI

InChI=1S/C35H35FN4O5/c1-44-27-14-11-25(19-28(27)45-2)29-30(33(41)23-5-3-21(20-37)4-6-23)31(22-9-12-26(36)13-10-22)40(34(42)24-7-8-24)32(29)35(43)39-17-15-38-16-18-39/h3-6,9-14,19,24,29-32,38H,7-8,15-18H2,1-2H3