N-[(1S)-1-[2-[1-[(3R,4S)-4-(4-bromanyl-2-fluoranyl-phenyl)-1-tert-butyl-pyrrolidin-3-yl]carbonylpiperidin-4-yl]-5-chloranyl-phenyl]propyl]ethanamide

Systemtic Name: N-[(1S)-1-[2-[1-[(3R,4S)-4-(4-bromanyl-2-fluoranyl-phenyl)-1-tert-butyl-pyrrolidin-3-yl]carbonylpiperidin-4-yl]-5-chloranyl-phenyl]propyl]ethanamide Openeye Name: N-[(1S)-1-[2-[1-[(3R,4S)-4-(4-bromo-2-fluoro-phenyl)-1-tert-butyl-pyrrolidine-3-carbonyl]-4-piperidyl]-5-chloro-phenyl]propyl]acetamide CAS Name: N-[(1S)-1-[2-[1-[[(3R,4S)-4-(4-bromo-2-fluorophenyl)-1-tert-butyl-3-pyrrolidinyl]-oxomethyl]-4-piperidinyl]-5-chlorophenyl]propyl]acetamide IUPAC Name: N-[(1S)-1-[2-[1-[(3R,4S)-4-(4-bromo-2-fluorophenyl)-1-tert-butylpyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide Traditional Name: N-[(1S)-1-[2-[1-[(3R,4S)-4-(4-bromo-2-fluoro-phenyl)-1-tert-butyl-pyrrolidine-3-carbonyl]-4-piperidyl]-5-chloro-phenyl]propyl]acetamide Formula: C31H40BrClFN3O2 MolecularWeight: 621.023603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Cl)C2CCN(CC2)C(=O)C3CN(CC3C4=C(C=C(C=C4)Br)F)C(C)(C)C)NC(=O)C

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Cl)C2CCN(CC2)C(=O)[C@H]3CN(C[C@@H]3C4=C(C=C(C=C4)Br)F)C(C)(C)C)NC(=O)C

InChI

InChI=1S/C31H40BrClFN3O2/c1-6-29(35-19(2)38)25-16-22(33)8-10-23(25)20-11-13-36(14-12-20)30(39)27-18-37(31(3,4)5)17-26(27)24-9-7-21(32)15-28(24)34/h7-10,15-16,20,26-27,29H,6,11-14,17-18H2,1-5H3,(H,35,38)/t26-,27+,29+/m1/s1