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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methoxy]-2-(2,3-dihydroindol-1-yl)-N-(2-oxidanylideneazepan-1-yl)pyrimidine-5-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methoxy]-2-indolin-1-yl-N-(2-oxoazepan-1-yl)pyrimidine-5-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methoxy]-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1-azepanyl)-5-pyrimidinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methoxy]-2-(2,3-dihydroindol-1-yl)-N-(2-oxoazepan-1-yl)pyrimidine-5-carboxamide Traditional Name: 4-(3-chloro-4-methoxy-benzyl)oxy-2-indolin-1-yl-N-(2-ketoazepan-1-yl)pyrimidine-5-carboxamide Formula: C27H28ClN5O4 MolecularWeight: 521.99532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC2=NC(=NC=C2C(=O)NN3CCCCCC3=O)N4CCC5=CC=CC=C54)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)COC2=NC(=NC=C2C(=O)NN3CCCCCC3=O)N4CCC5=CC=CC=C54)Cl

InChI

InChI=1S/C27H28ClN5O4/c1-36-23-11-10-18(15-21(23)28)17-37-26-20(25(35)31-33-13-6-2-3-9-24(33)34)16-29-27(30-26)32-14-12-19-7-4-5-8-22(19)32/h4-5,7-8,10-11,15-16H,2-3,6,9,12-14,17H2,1H3,(H,31,35)