N-[(2S)-3-cyclohexyl-1-[2-[(4-methoxyphenyl)amino]ethylamino]-1-oxidanylidene-propan-2-yl]-5-fluoranyl-1H-indole-2-carboxamide

Systemtic Name: N-[(2S)-3-cyclohexyl-1-[2-[(4-methoxyphenyl)amino]ethylamino]-1-oxidanylidene-propan-2-yl]-5-fluoranyl-1H-indole-2-carboxamide Openeye Name: N-[(1S)-1-(cyclohexylmethyl)-2-[2-(4-methoxyanilino)ethylamino]-2-oxo-ethyl]-5-fluoro-1H-indole-2-carboxamide CAS Name: N-[(2S)-3-cyclohexyl-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]-5-fluoro-1H-indole-2-carboxamide IUPAC Name: N-[(2S)-3-cyclohexyl-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]-5-fluoro-1H-indole-2-carboxamide Traditional Name: N-[(1S)-1-(cyclohexylmethyl)-2-keto-2-[2-(p-anisidino)ethylamino]ethyl]-5-fluoro-1H-indole-2-carboxamide Formula: C27H33FN4O3 MolecularWeight: 480.574323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NCCNC(=O)C(CC2CCCCC2)NC(=O)C3=CC4=C(N3)C=CC(=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)C3=CC4=C(N3)C=CC(=C4)F

InChI

InChI=1S/C27H33FN4O3/c1-35-22-10-8-21(9-11-22)29-13-14-30-26(33)24(15-18-5-3-2-4-6-18)32-27(34)25-17-19-16-20(28)7-12-23(19)31-25/h7-12,16-18,24,29,31H,2-6,13-15H2,1H3,(H,30,33)(H,32,34)/t24-/m0/s1