N-[(3S,5S)-1-[(3R,4R)-4-[2,4-bis(fluoranyl)phenyl]-1-tert-butyl-pyrrolidin-3-yl]carbonyl-5-(4-methylpiperazin-1-yl)carbonyl-pyrrolidin-3-yl]-2,2-dimethyl-N-(4-methylcyclohexyl)propanamide

Systemtic Name: N-[(3S,5S)-1-[(3R,4R)-4-[2,4-bis(fluoranyl)phenyl]-1-tert-butyl-pyrrolidin-3-yl]carbonyl-5-(4-methylpiperazin-1-yl)carbonyl-pyrrolidin-3-yl]-2,2-dimethyl-N-(4-methylcyclohexyl)propanamide Openeye Name: N-[(3S,5S)-1-[(3R,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]-2,2-dimethyl-N-(4-methylcyclohexyl)propanamide CAS Name: N-[(3S,5S)-1-[[(3R,4R)-1-tert-butyl-4-(2,4-difluorophenyl)-3-pyrrolidinyl]-oxomethyl]-5-[(4-methyl-1-piperazinyl)-oxomethyl]-3-pyrrolidinyl]-2,2-dimethyl-N-(4-methylcyclohexyl)propanamide IUPAC Name: N-[(3S,5S)-1-[(3R,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]-2,2-dimethyl-N-(4-methylcyclohexyl)propanamide Traditional Name: N-[(3S,5S)-1-[(3R,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]-2,2-dimethyl-N-(4-methylcyclohexyl)propionamide Formula: C37H57F2N5O3 MolecularWeight: 657.876986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C2CC(N(C2)C(=O)C3CN(CC3C4=C(C=C(C=C4)F)F)C(C)(C)C)C(=O)N5CCN(CC5)C)C(=O)C(C)(C)C

Isomeric SMILES

CC1CCC(CC1)N([C@H]2C[C@H](N(C2)C(=O)[C@H]3CN(C[C@H]3C4=C(C=C(C=C4)F)F)C(C)(C)C)C(=O)N5CCN(CC5)C)C(=O)C(C)(C)C

InChI

InChI=1S/C37H57F2N5O3/c1-24-9-12-26(13-10-24)44(35(47)36(2,3)4)27-20-32(34(46)41-17-15-40(8)16-18-41)43(21-27)33(45)30-23-42(37(5,6)7)22-29(30)28-14-11-25(38)19-31(28)39/h11,14,19,24,26-27,29-30,32H,9-10,12-13,15-18,20-23H2,1-8H3/t24?,26?,27-,29-,30-,32-/m0/s1