(8S)-8-(chloromethyl)-6-[[5-[(5-methoxyisoquinolin-3-yl)carbonylamino]-1H-indol-2-yl]carbonyl]-4-(4-methylpiperazin-1-yl)carbonyloxy-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate

Systemtic Name: (8S)-8-(chloromethyl)-6-[[5-[(5-methoxyisoquinolin-3-yl)carbonylamino]-1H-indol-2-yl]carbonyl]-4-(4-methylpiperazin-1-yl)carbonyloxy-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate Openeye Name: (8S)-8-(chloromethyl)-6-[5-[(5-methoxyisoquinoline-3-carbonyl)amino]-1H-indole-2-carbonyl]-4-(4-methylpiperazine-1-carbonyl)oxy-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate CAS Name: (8S)-8-(chloromethyl)-6-[[5-[[(5-methoxy-3-isoquinolinyl)-oxomethyl]amino]-1H-indol-2-yl]-oxomethyl]-4-[(4-methyl-1-piperazinyl)-oxomethoxy]-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate IUPAC Name: (8S)-8-(chloromethyl)-6-[5-[(5-methoxyisoquinoline-3-carbonyl)amino]-1H-indole-2-carbonyl]-4-(4-methylpiperazine-1-carbonyl)oxy-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate Traditional Name: (8S)-8-(chloromethyl)-6-[5-[(5-methoxyisoquinoline-3-carbonyl)amino]-1H-indole-2-carbonyl]-4-(4-methylpiperazine-1-carbonyl)oxy-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrol[3,2-e]indole-1-carboxylate Formula: C39H32ClF3N7O7- MolecularWeight: 803.16229

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)OC2=C3C(=C4C(CN(C4=C2)C(=O)C5=CC6=C(N5)C=CC(=C6)NC(=O)C7=NC=C8C=CC=C(C8=C7)OC)CCl)C(=C(N3)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)OC2=C3C(=C4[C@@H](CN(C4=C2)C(=O)C5=CC6=C(N5)C=CC(=C6)NC(=O)C7=NC=C8C=CC=C(C8=C7)OC)CCl)C(=C(N3)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C39H33ClF3N7O7/c1-48-8-10-49(11-9-48)38(55)57-29-15-27-30(31-32(37(53)54)34(39(41,42)43)47-33(29)31)21(16-40)18-50(27)36(52)26-13-20-12-22(6-7-24(20)46-26)45-35(51)25-14-23-19(17-44-25)4-3-5-28(23)56-2/h3-7,12-15,17,21,46-47H,8-11,16,18H2,1-2H3,(H,45,51)(H,53,54)/p-1/t21-/m1/s1