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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-bromanyl-2,3-dihydroindol-1-yl)-N-(2-dimethylaminoethyl)pyrimidine-5-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-bromoindolin-1-yl)-N-(2-dimethylaminoethyl)pyrimidine-5-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-bromo-2,3-dihydroindol-1-yl)-N-(2-dimethylaminoethyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-bromo-2,3-dihydroindol-1-yl)-N-(2-dimethylaminoethyl)pyrimidine-5-carboxamide Traditional Name: 2-(5-bromoindolin-1-yl)-N-(2-dimethylaminoethyl)-4-piperonyloxy-pyrimidine-5-carboxamide Formula: C25H26BrN5O4 MolecularWeight: 540.40904

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CN=C(N=C1OCC2=CC3=C(C=C2)OCO3)N4CCC5=C4C=CC(=C5)Br

Isomeric SMILES

CN(C)CCNC(=O)C1=CN=C(N=C1OCC2=CC3=C(C=C2)OCO3)N4CCC5=C4C=CC(=C5)Br

InChI

InChI=1S/C25H26BrN5O4/c1-30(2)10-8-27-23(32)19-13-28-25(31-9-7-17-12-18(26)4-5-20(17)31)29-24(19)33-14-16-3-6-21-22(11-16)35-15-34-21/h3-6,11-13H,7-10,14-15H2,1-2H3,(H,27,32)