2-(1,3-benzodioxol-5-yl)-N-[2-[2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidin-1-yl]ethyl]ethanamine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[2-[2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidin-1-yl]ethyl]ethanamine Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[2-[2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidin-1-yl]ethyl]ethanamine CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[2-[2-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-pyrrolidinyl]ethyl]ethanamine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[2-[2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidin-1-yl]ethyl]ethanamine Traditional Name: homopiperonyl-[2-[2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidino]ethyl]amine Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2CCCN2CCNCCC3=CC4=C(C=C3)OCO4)N5C=CN=C5

Isomeric SMILES

CC1=NC(=NC(=C1)C2CCCN2CCNCCC3=CC4=C(C=C3)OCO4)N5C=CN=C5

InChI

InChI=1S/C23H28N6O2/c1-17-13-19(27-23(26-17)29-12-9-25-15-29)20-3-2-10-28(20)11-8-24-7-6-18-4-5-21-22(14-18)31-16-30-21/h4-5,9,12-15,20,24H,2-3,6-8,10-11,16H2,1H3