2-(5-bromanyl-2,3-dihydroindol-1-yl)-4-ethoxy-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide

Systemtic Name: 2-(5-bromanyl-2,3-dihydroindol-1-yl)-4-ethoxy-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide Openeye Name: 2-(5-bromoindolin-1-yl)-4-ethoxy-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide CAS Name: 2-(5-bromo-2,3-dihydroindol-1-yl)-4-ethoxy-N-(2-oxo-3-azepanyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(5-bromo-2,3-dihydroindol-1-yl)-4-ethoxy-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide Traditional Name: 2-(5-bromoindolin-1-yl)-4-ethoxy-N-(2-ketoazepan-3-yl)pyrimidine-5-carboxamide Formula: C21H24BrN5O3 MolecularWeight: 474.35096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC=C1C(=O)NC2CCCCNC2=O)N3CCC4=C3C=CC(=C4)Br

Isomeric SMILES

CCOC1=NC(=NC=C1C(=O)NC2CCCCNC2=O)N3CCC4=C3C=CC(=C4)Br

InChI

InChI=1S/C21H24BrN5O3/c1-2-30-20-15(18(28)25-16-5-3-4-9-23-19(16)29)12-24-21(26-20)27-10-8-13-11-14(22)6-7-17(13)27/h6-7,11-12,16H,2-5,8-10H2,1H3,(H,23,29)(H,25,28)