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

Systemtic Name: 4-[3-(2,5-dimethylfuran-3-yl)carbonyl-4-(4-methoxyphenyl)-1-(phenylcarbonyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-2-yl]benzenecarbonitrile Openeye Name: 4-[1-benzoyl-3-(2,5-dimethylfuran-3-carbonyl)-4-(4-methoxyphenyl)-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile CAS Name: 4-[1-benzoyl-3-[(2,5-dimethyl-3-furanyl)-oxomethyl]-4-(4-methoxyphenyl)-5-[oxo(1-piperazinyl)methyl]-2-pyrrolidinyl]benzonitrile IUPAC Name: 4-[1-benzoyl-3-(2,5-dimethylfuran-3-carbonyl)-4-(4-methoxyphenyl)-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile Traditional Name: 4-[1-benzoyl-3-(2,5-dimethyl-3-furoyl)-4-(4-methoxyphenyl)-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile Formula: C37H36N4O5 MolecularWeight: 616.70554

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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)C4=CC=CC=C4)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)C4=CC=CC=C4)C(=O)N5CCNCC5)C6=CC=C(C=C6)OC

InChI

InChI=1S/C37H36N4O5/c1-23-21-30(24(2)46-23)35(42)32-31(26-13-15-29(45-3)16-14-26)34(37(44)40-19-17-39-18-20-40)41(36(43)28-7-5-4-6-8-28)33(32)27-11-9-25(22-38)10-12-27/h4-16,21,31-34,39H,17-20H2,1-3H3