4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-bromanyl-2,3-dihydroindol-1-yl)-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-bromanyl-2,3-dihydroindol-1-yl)-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-bromoindolin-1-yl)-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-bromo-2,3-dihydroindol-1-yl)-N-(2-oxo-3-azepanyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-bromo-2,3-dihydroindol-1-yl)-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide Traditional Name: 2-(5-bromoindolin-1-yl)-N-(2-ketoazepan-3-yl)-4-piperonyloxy-pyrimidine-5-carboxamide Formula: C27H26BrN5O5 MolecularWeight: 580.42984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CN=C(N=C2OCC3=CC4=C(C=C3)OCO4)N5CCC6=C5C=CC(=C6)Br

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=CN=C(N=C2OCC3=CC4=C(C=C3)OCO4)N5CCC6=C5C=CC(=C6)Br

InChI

InChI=1S/C27H26BrN5O5/c28-18-5-6-21-17(12-18)8-10-33(21)27-30-13-19(24(34)31-20-3-1-2-9-29-25(20)35)26(32-27)36-14-16-4-7-22-23(11-16)38-15-37-22/h4-7,11-13,20H,1-3,8-10,14-15H2,(H,29,35)(H,31,34)