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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-2-yl]acetamide Traditional Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C22H25N7O3 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCNC(C3)CC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCNC(C3)CC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H25N7O3/c1-15-8-20(27-22(26-15)29-6-4-23-13-29)28-7-5-24-17(12-28)10-21(30)25-11-16-2-3-18-19(9-16)32-14-31-18/h2-4,6,8-9,13,17,24H,5,7,10-12,14H2,1H3,(H,25,30)