tert-butyl 2-[2-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]carbonyl-3-propan-2-yl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]carbonyl-3-propan-2-yl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-3-isopropyl-pyrrolidine-1-carboxylate CAS Name: 2-[[2-[[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-3-propan-2-yl-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-1-carboxylate Traditional Name: 2-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)benzyl]carbamoyl]pyrrolidine-1-carbonyl]-3-isopropyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H37ClN6O4 MolecularWeight: 545.07348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCN(C1C(=O)N2CCCC2C(=O)NCC3=C(C=CC(=C3)Cl)N4C=NC=N4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C1CCN(C1C(=O)N2CCCC2C(=O)NCC3=C(C=CC(=C3)Cl)N4C=NC=N4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H37ClN6O4/c1-17(2)20-10-12-33(26(37)38-27(3,4)5)23(20)25(36)32-11-6-7-22(32)24(35)30-14-18-13-19(28)8-9-21(18)34-16-29-15-31-34/h8-9,13,15-17,20,22-23H,6-7,10-12,14H2,1-5H3,(H,30,35)