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

Systemtic Name: 2-(5-bromanyl-2,3-dihydroindol-1-yl)-4-[(4-methoxyphenyl)methoxy]-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide Openeye Name: 2-(5-bromoindolin-1-yl)-4-[(4-methoxyphenyl)methoxy]-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide CAS Name: 2-(5-bromo-2,3-dihydroindol-1-yl)-4-[(4-methoxyphenyl)methoxy]-N-(2-oxo-3-azepanyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(5-bromo-2,3-dihydroindol-1-yl)-4-[(4-methoxyphenyl)methoxy]-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide Traditional Name: 2-(5-bromoindolin-1-yl)-N-(2-ketoazepan-3-yl)-4-p-anisyloxy-pyrimidine-5-carboxamide Formula: C27H28BrN5O4 MolecularWeight: 566.44632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28BrN5O4/c1-36-20-8-5-17(6-9-20)16-37-26-21(24(34)31-22-4-2-3-12-29-25(22)35)15-30-27(32-26)33-13-11-18-14-19(28)7-10-23(18)33/h5-10,14-15,22H,2-4,11-13,16H2,1H3,(H,29,35)(H,31,34)