4-[1-cyclopentylcarbonyl-3-(2,5-dimethylfuran-3-yl)carbonyl-4-(4-methoxyphenyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[1-cyclopentylcarbonyl-3-(2,5-dimethylfuran-3-yl)carbonyl-4-(4-methoxyphenyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-2-yl]benzenecarbonitrile Openeye Name: 4-[1-(cyclopentanecarbonyl)-3-(2,5-dimethylfuran-3-carbonyl)-4-(4-methoxyphenyl)-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile CAS Name: 4-[1-[cyclopentyl(oxo)methyl]-3-[(2,5-dimethyl-3-furanyl)-oxomethyl]-4-(4-methoxyphenyl)-5-[oxo(1-piperazinyl)methyl]-2-pyrrolidinyl]benzonitrile IUPAC Name: 4-[1-(cyclopentanecarbonyl)-3-(2,5-dimethylfuran-3-carbonyl)-4-(4-methoxyphenyl)-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile Traditional Name: 4-[1-(cyclopentanecarbonyl)-3-(2,5-dimethyl-3-furoyl)-4-(4-methoxyphenyl)-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile Formula: C36H40N4O5 MolecularWeight: 608.7266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4CCCC4)C(=O)N5CCNCC5)C6=CC=C(C=C6)OC

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4CCCC4)C(=O)N5CCNCC5)C6=CC=C(C=C6)OC

InChI

InChI=1S/C36H40N4O5/c1-22-20-29(23(2)45-22)34(41)31-30(25-12-14-28(44-3)15-13-25)33(36(43)39-18-16-38-17-19-39)40(35(42)27-6-4-5-7-27)32(31)26-10-8-24(21-37)9-11-26/h8-15,20,27,30-33,38H,4-7,16-19H2,1-3H3