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

Systemtic Name: 2-(2,3-dihydroindol-1-yl)-4-[(2,5-dimethoxyphenyl)methoxy]-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide Openeye Name: 4-[(2,5-dimethoxyphenyl)methoxy]-2-indolin-1-yl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide CAS Name: 2-(2,3-dihydroindol-1-yl)-4-[(2,5-dimethoxyphenyl)methoxy]-N-(2-oxo-3-azepanyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(2,3-dihydroindol-1-yl)-4-[(2,5-dimethoxyphenyl)methoxy]-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide Traditional Name: 4-(2,5-dimethoxybenzyl)oxy-2-indolin-1-yl-N-(2-ketoazepan-3-yl)pyrimidine-5-carboxamide Formula: C28H31N5O5 MolecularWeight: 517.57624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)COC2=NC(=NC=C2C(=O)NC3CCCCNC3=O)N4CCC5=CC=CC=C54

Isomeric SMILES

COC1=CC(=C(C=C1)OC)COC2=NC(=NC=C2C(=O)NC3CCCCNC3=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C28H31N5O5/c1-36-20-10-11-24(37-2)19(15-20)17-38-27-21(25(34)31-22-8-5-6-13-29-26(22)35)16-30-28(32-27)33-14-12-18-7-3-4-9-23(18)33/h3-4,7,9-11,15-16,22H,5-6,8,12-14,17H2,1-2H3,(H,29,35)(H,31,34)