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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-methyl-piperazin-2-yl]ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-methyl-piperazin-2-yl]acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-methyl-2-piperazinyl]acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-methylpiperazin-2-yl]acetamide Traditional Name: N-homopiperonyl-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-methyl-piperazin-2-yl]acetamide Formula: C24H29N7O3 MolecularWeight: 463.53216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCCC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H29N7O3/c1-17-11-22(28-24(27-17)30-8-7-25-15-30)31-10-9-29(2)14-19(31)13-23(32)26-6-5-18-3-4-20-21(12-18)34-16-33-20/h3-4,7-8,11-12,15,19H,5-6,9-10,13-14,16H2,1-2H3,(H,26,32)