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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(2,3-dihydroindol-1-yl)-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-indolin-1-yl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-3-azepanyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(2,3-dihydroindol-1-yl)-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide Traditional Name: 2-indolin-1-yl-N-(2-ketoazepan-3-yl)-4-piperonyloxy-pyrimidine-5-carboxamide Formula: C27H27N5O5 MolecularWeight: 501.53378

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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=CC=CC=C65

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=CN=C(N=C2OCC3=CC4=C(C=C3)OCO4)N5CCC6=CC=CC=C65

InChI

InChI=1S/C27H27N5O5/c33-24(30-20-6-3-4-11-28-25(20)34)19-14-29-27(32-12-10-18-5-1-2-7-21(18)32)31-26(19)35-15-17-8-9-22-23(13-17)37-16-36-22/h1-2,5,7-9,13-14,20H,3-4,6,10-12,15-16H2,(H,28,34)(H,30,33)