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

Systemtic Name: 4-[1-cyclohexylcarbonyl-4-(3,4-dimethoxyphenyl)-2-phenyl-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[1-(cyclohexanecarbonyl)-4-(3,4-dimethoxyphenyl)-2-phenyl-5-(piperazine-1-carbonyl)pyrrolidine-3-carbonyl]benzonitrile CAS Name: 4-[[1-[cyclohexyl(oxo)methyl]-4-(3,4-dimethoxyphenyl)-5-[oxo(1-piperazinyl)methyl]-2-phenyl-3-pyrrolidinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[1-(cyclohexanecarbonyl)-4-(3,4-dimethoxyphenyl)-2-phenyl-5-(piperazine-1-carbonyl)pyrrolidine-3-carbonyl]benzonitrile Traditional Name: 4-[1-(cyclohexanecarbonyl)-4-(3,4-dimethoxyphenyl)-2-phenyl-5-(piperazine-1-carbonyl)pyrrolidine-3-carbonyl]benzonitrile Formula: C38H42N4O5 MolecularWeight: 634.76388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)C4CCCCC4)C5=CC=CC=C5)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)C4CCCCC4)C5=CC=CC=C5)C(=O)C6=CC=C(C=C6)C#N)OC

InChI

InChI=1S/C38H42N4O5/c1-46-30-18-17-29(23-31(30)47-2)32-33(36(43)27-15-13-25(24-39)14-16-27)34(26-9-5-3-6-10-26)42(37(44)28-11-7-4-8-12-28)35(32)38(45)41-21-19-40-20-22-41/h3,5-6,9-10,13-18,23,28,32-35,40H,4,7-8,11-12,19-22H2,1-2H3