2-(2,3-dihydroindol-1-yl)-4-[(3-fluorophenyl)methylamino]-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide

Systemtic Name: 2-(2,3-dihydroindol-1-yl)-4-[(3-fluorophenyl)methylamino]-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide Openeye Name: 4-[(3-fluorophenyl)methylamino]-2-indolin-1-yl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide CAS Name: 2-(2,3-dihydroindol-1-yl)-4-[(3-fluorophenyl)methylamino]-N-(2-oxo-3-azepanyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(2,3-dihydroindol-1-yl)-4-[(3-fluorophenyl)methylamino]-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide Traditional Name: 4-[(3-fluorobenzyl)amino]-2-indolin-1-yl-N-(2-ketoazepan-3-yl)pyrimidine-5-carboxamide Formula: C26H27FN6O2 MolecularWeight: 474.529983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CN=C(N=C2NCC3=CC(=CC=C3)F)N4CCC5=CC=CC=C54

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=CN=C(N=C2NCC3=CC(=CC=C3)F)N4CCC5=CC=CC=C54

InChI

InChI=1S/C26H27FN6O2/c27-19-8-5-6-17(14-19)15-29-23-20(24(34)31-21-9-3-4-12-28-25(21)35)16-30-26(32-23)33-13-11-18-7-1-2-10-22(18)33/h1-2,5-8,10,14,16,21H,3-4,9,11-13,15H2,(H,28,35)(H,31,34)(H,29,30,32)