N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylcyclopropyl)-2-pyrrolidin-1-yl-pyrimidine-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylcyclopropyl)-2-pyrrolidin-1-yl-pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylcyclopropyl)-2-pyrrolidin-1-yl-pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylcyclopropyl)-2-(1-pyrrolidinyl)-5-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylcyclopropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide Traditional Name: 4-(1-phenylcyclopropyl)-N-piperonyl-2-pyrrolidino-pyrimidine-5-carboxamide Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C(=N2)C3(CC3)C4=CC=CC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCN(C1)C2=NC=C(C(=N2)C3(CC3)C4=CC=CC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H26N4O3/c31-24(27-15-18-8-9-21-22(14-18)33-17-32-21)20-16-28-25(30-12-4-5-13-30)29-23(20)26(10-11-26)19-6-2-1-3-7-19/h1-3,6-9,14,16H,4-5,10-13,15,17H2,(H,27,31)