2-(5-fluoranyl-2,3-dihydroindol-1-yl)-4-[(3-methoxyphenyl)methoxy]-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide

Systemtic Name: 2-(5-fluoranyl-2,3-dihydroindol-1-yl)-4-[(3-methoxyphenyl)methoxy]-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide Openeye Name: 2-(5-fluoroindolin-1-yl)-4-[(3-methoxyphenyl)methoxy]-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide CAS Name: 2-(5-fluoro-2,3-dihydroindol-1-yl)-4-[(3-methoxyphenyl)methoxy]-N-(2-oxo-3-azepanyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(5-fluoro-2,3-dihydroindol-1-yl)-4-[(3-methoxyphenyl)methoxy]-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide Traditional Name: 2-(5-fluoroindolin-1-yl)-N-(2-ketoazepan-3-yl)-4-m-anisyloxy-pyrimidine-5-carboxamide Formula: C27H28FN5O4 MolecularWeight: 505.540723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2=NC(=NC=C2C(=O)NC3CCCCNC3=O)N4CCC5=C4C=CC(=C5)F

Isomeric SMILES

COC1=CC=CC(=C1)COC2=NC(=NC=C2C(=O)NC3CCCCNC3=O)N4CCC5=C4C=CC(=C5)F

InChI

InChI=1S/C27H28FN5O4/c1-36-20-6-4-5-17(13-20)16-37-26-21(24(34)31-22-7-2-3-11-29-25(22)35)15-30-27(32-26)33-12-10-18-14-19(28)8-9-23(18)33/h4-6,8-9,13-15,22H,2-3,7,10-12,16H2,1H3,(H,29,35)(H,31,34)