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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-methyl-piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-methyl-piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-methyl-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpiperazin-2-yl]acetamide Traditional Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-methyl-piperazin-2-yl]-N-piperonyl-acetamide Formula: C23H27N7O3 MolecularWeight: 449.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)CC(=O)NCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)CC(=O)NCC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C23H27N7O3/c1-16-9-21(27-23(26-16)30-6-5-24-14-30)29-8-7-28(2)18(13-29)11-22(31)25-12-17-3-4-19-20(10-17)33-15-32-19/h3-6,9-10,14,18H,7-8,11-13,15H2,1-2H3,(H,25,31)