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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidin-1-yl]ethanamine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidin-1-yl]ethanamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-pyrrolidinyl]ethanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidin-1-yl]ethanamine Traditional Name: 2-[2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidino]ethyl-piperonyl-amine Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2CCCN2CCNCC3=CC4=C(C=C3)OCO4)N5C=CN=C5

Isomeric SMILES

CC1=NC(=NC(=C1)C2CCCN2CCNCC3=CC4=C(C=C3)OCO4)N5C=CN=C5

InChI

InChI=1S/C22H26N6O2/c1-16-11-18(26-22(25-16)28-10-7-24-14-28)19-3-2-8-27(19)9-6-23-13-17-4-5-20-21(12-17)30-15-29-20/h4-5,7,10-12,14,19,23H,2-3,6,8-9,13,15H2,1H3