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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methoxy]-2-(2,3-dihydroindol-1-yl)-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methoxy]-2-indolin-1-yl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methoxy]-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-3-azepanyl)-5-pyrimidinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methoxy]-2-(2,3-dihydroindol-1-yl)-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide Traditional Name: 4-(3-chloro-4-methoxy-benzyl)oxy-2-indolin-1-yl-N-(2-ketoazepan-3-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)NC3CCCCNC3=O)N4CCC5=CC=CC=C54)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClN5O4/c1-36-23-10-9-17(14-20(23)28)16-37-26-19(24(34)31-21-7-4-5-12-29-25(21)35)15-30-27(32-26)33-13-11-18-6-2-3-8-22(18)33/h2-3,6,8-10,14-15,21H,4-5,7,11-13,16H2,1H3,(H,29,35)(H,31,34)