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

Systemtic Name: 2-(2,3-dihydroindol-1-yl)-4-[(4-ethoxyphenyl)methoxy]-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide Openeye Name: 4-[(4-ethoxyphenyl)methoxy]-2-indolin-1-yl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide CAS Name: 2-(2,3-dihydroindol-1-yl)-4-[(4-ethoxyphenyl)methoxy]-N-(2-oxo-3-azepanyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(2,3-dihydroindol-1-yl)-4-[(4-ethoxyphenyl)methoxy]-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide Traditional Name: 4-(4-ethoxybenzyl)oxy-2-indolin-1-yl-N-(2-ketoazepan-3-yl)pyrimidine-5-carboxamide Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)COC2=NC(=NC=C2C(=O)NC3CCCCNC3=O)N4CCC5=CC=CC=C54

Isomeric SMILES

CCOC1=CC=C(C=C1)COC2=NC(=NC=C2C(=O)NC3CCCCNC3=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C28H31N5O4/c1-2-36-21-12-10-19(11-13-21)18-37-27-22(25(34)31-23-8-5-6-15-29-26(23)35)17-30-28(32-27)33-16-14-20-7-3-4-9-24(20)33/h3-4,7,9-13,17,23H,2,5-6,8,14-16,18H2,1H3,(H,29,35)(H,31,34)