N-[4-(aziridin-1-ylcarbonyl)cyclohexyl]-5-[(5-fluoranyl-2-oxidanylidene-3H-indol-1-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

Systemtic Name: N-[4-(aziridin-1-ylcarbonyl)cyclohexyl]-5-[(5-fluoranyl-2-oxidanylidene-3H-indol-1-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide Openeye Name: N-[4-(aziridine-1-carbonyl)cyclohexyl]-5-[(5-fluoro-2-oxo-indolin-1-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide CAS Name: N-[4-[1-aziridinyl(oxo)methyl]cyclohexyl]-5-[(5-fluoro-2-oxo-3H-indol-1-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide IUPAC Name: N-[4-(aziridine-1-carbonyl)cyclohexyl]-5-[(5-fluoro-2-oxo-3H-indol-1-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide Traditional Name: N-[4-(ethylenimine-1-carbonyl)cyclohexyl]-5-[(5-fluoro-2-keto-indolin-1-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide Formula: C25H29FN4O3 MolecularWeight: 452.521163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)NC2CCC(CC2)C(=O)N3CC3)C)CN4C(=O)CC5=C4C=CC(=C5)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)NC2CCC(CC2)C(=O)N3CC3)C)CN4C(=O)CC5=C4C=CC(=C5)F

InChI

InChI=1S/C25H29FN4O3/c1-14-20(13-30-21-8-5-18(26)11-17(21)12-22(30)31)27-15(2)23(14)24(32)28-19-6-3-16(4-7-19)25(33)29-9-10-29/h5,8,11,16,19,27H,3-4,6-7,9-10,12-13H2,1-2H3,(H,28,32)