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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-methoxyindolin-1-yl)-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(2-oxo-3-azepanyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide Traditional Name: N-(2-ketoazepan-3-yl)-2-(5-methoxyindolin-1-yl)-4-piperonyloxy-pyrimidine-5-carboxamide Formula: C28H29N5O6 MolecularWeight: 531.55976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(CC2)C3=NC=C(C(=N3)OCC4=CC5=C(C=C4)OCO5)C(=O)NC6CCCCNC6=O

Isomeric SMILES

COC1=CC2=C(C=C1)N(CC2)C3=NC=C(C(=N3)OCC4=CC5=C(C=C4)OCO5)C(=O)NC6CCCCNC6=O

InChI

InChI=1S/C28H29N5O6/c1-36-19-6-7-22-18(13-19)9-11-33(22)28-30-14-20(25(34)31-21-4-2-3-10-29-26(21)35)27(32-28)37-15-17-5-8-23-24(12-17)39-16-38-23/h5-8,12-14,21H,2-4,9-11,15-16H2,1H3,(H,29,35)(H,31,34)