(2Z,14R)-11-[2-[2-(1-ethylpyrazol-3-yl)-7-methoxy-8-methyl-quinolin-4-yl]oxyethyl]-8-methyl-N-(1-methylcyclopropyl)sulfonyl-9,12-bis(oxidanylidene)-8,10,13-triazabicyclo[12.1.0]pentadec-2-ene-14-carboxamide

Systemtic Name: (2Z,14R)-11-[2-[2-(1-ethylpyrazol-3-yl)-7-methoxy-8-methyl-quinolin-4-yl]oxyethyl]-8-methyl-N-(1-methylcyclopropyl)sulfonyl-9,12-bis(oxidanylidene)-8,10,13-triazabicyclo[12.1.0]pentadec-2-ene-14-carboxamide Openeye Name: (2Z,14R)-11-[2-[[2-(1-ethylpyrazol-3-yl)-7-methoxy-8-methyl-4-quinolyl]oxy]ethyl]-8-methyl-N-(1-methylcyclopropyl)sulfonyl-9,12-dioxo-8,10,13-triazabicyclo[12.1.0]pentadec-2-ene-14-carboxamide CAS Name: (2Z,14R)-11-[2-[[2-(1-ethyl-3-pyrazolyl)-7-methoxy-8-methyl-4-quinolinyl]oxy]ethyl]-8-methyl-N-(1-methylcyclopropyl)sulfonyl-9,12-dioxo-8,10,13-triazabicyclo[12.1.0]pentadec-2-ene-14-carboxamide IUPAC Name: (2Z,14R)-11-[2-[2-(1-ethylpyrazol-3-yl)-7-methoxy-8-methylquinolin-4-yl]oxyethyl]-8-methyl-N-(1-methylcyclopropyl)sulfonyl-9,12-dioxo-8,10,13-triazabicyclo[12.1.0]pentadec-2-ene-14-carboxamide Traditional Name: (2Z,14R)-11-[2-[[2-(1-ethylpyrazol-3-yl)-7-methoxy-8-methyl-4-quinolyl]oxy]ethyl]-9,12-diketo-8-methyl-N-(1-methylcyclopropyl)sulfonyl-8,10,13-triazabicyclo[12.1.0]pentadec-2-ene-14-carboxamide Formula: C36H47N7O7S MolecularWeight: 721.86608

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C2=NC3=C(C=CC(=C3C)OC)C(=C2)OCCC4C(=O)NC5(CC5C=CCCCCN(C(=O)N4)C)C(=O)NS(=O)(=O)C6(CC6)C

Isomeric SMILES

CCN1C=CC(=N1)C2=NC3=C(C=CC(=C3C)OC)C(=C2)OCCC4C(=O)N[C@@]5(CC5/C=C\CCCCN(C(=O)N4)C)C(=O)NS(=O)(=O)C6(CC6)C

InChI

InChI=1S/C36H47N7O7S/c1-6-43-19-14-26(40-43)28-21-30(25-12-13-29(49-5)23(2)31(25)37-28)50-20-15-27-32(44)39-36(33(45)41-51(47,48)35(3)16-17-35)22-24(36)11-9-7-8-10-18-42(4)34(46)38-27/h9,11-14,19,21,24,27H,6-8,10,15-18,20,22H2,1-5H3,(H,38,46)(H,39,44)(H,41,45)/b11-9-/t24?,27?,36-/m1/s1