(2S)-N-[(3S,5S)-1-[(3S,4R)-4-(4-chlorophenyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbonyl-5-(4-methylpiperazin-1-yl)carbonyl-pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide

Systemtic Name: (2S)-N-[(3S,5S)-1-[(3S,4R)-4-(4-chlorophenyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbonyl-5-(4-methylpiperazin-1-yl)carbonyl-pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide Openeye Name: (2S)-N-[(3S,5S)-1-[(3S,4R)-4-(4-chlorophenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-3-carbonyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)tetrahydrofuran-2-carboxamide CAS Name: (2S)-N-[(3S,5S)-1-[[(3S,4R)-4-(4-chlorophenyl)-1-(6-methyl-3-pyridazinyl)-3-pyrrolidinyl]-oxomethyl]-5-[(4-methyl-1-piperazinyl)-oxomethyl]-3-pyrrolidinyl]-N-(4,4-dimethylcyclohexyl)-2-oxolanecarboxamide IUPAC Name: (2S)-N-[(3S,5S)-1-[(3S,4R)-4-(4-chlorophenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-3-carbonyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide Traditional Name: (2S)-N-[(3S,5S)-1-[(3S,4R)-4-(4-chlorophenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-3-carbonyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)tetrahydrofuran-2-carboxamide Formula: C39H54ClN7O4 MolecularWeight: 720.34356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C=C1)N2CC(C(C2)C(=O)N3CC(CC3C(=O)N4CCN(CC4)C)N(C5CCC(CC5)(C)C)C(=O)C6CCCO6)C7=CC=C(C=C7)Cl

Isomeric SMILES

CC1=NN=C(C=C1)N2C[C@H]([C@@H](C2)C(=O)N3C[C@H](C[C@H]3C(=O)N4CCN(CC4)C)N(C5CCC(CC5)(C)C)C(=O)[C@@H]6CCCO6)C7=CC=C(C=C7)Cl

InChI

InChI=1S/C39H54ClN7O4/c1-26-7-12-35(42-41-26)45-24-31(27-8-10-28(40)11-9-27)32(25-45)36(48)46-23-30(22-33(46)37(49)44-19-17-43(4)18-20-44)47(38(50)34-6-5-21-51-34)29-13-15-39(2,3)16-14-29/h7-12,29-34H,5-6,13-25H2,1-4H3/t30-,31-,32+,33-,34-/m0/s1