N-(1,3-benzodioxol-5-ylmethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-2-pyrrolidin-1-yl-pyrimidine-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-2-pyrrolidin-1-yl-pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-2-pyrrolidin-1-yl-pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-2-(1-pyrrolidinyl)-5-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide Traditional Name: 4-[1-(4-chlorophenyl)cyclobutyl]-N-piperonyl-2-pyrrolidino-pyrimidine-5-carboxamide Formula: C27H27ClN4O3 MolecularWeight: 490.98128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C(=N2)C3(CCC3)C4=CC=C(C=C4)Cl)C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCN(C1)C2=NC=C(C(=N2)C3(CCC3)C4=CC=C(C=C4)Cl)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H27ClN4O3/c28-20-7-5-19(6-8-20)27(10-3-11-27)24-21(16-30-26(31-24)32-12-1-2-13-32)25(33)29-15-18-4-9-22-23(14-18)35-17-34-22/h4-9,14,16H,1-3,10-13,15,17H2,(H,29,33)