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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-pyridin-3-ylcarbonyl-piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-(pyridine-3-carbonyl)piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-[oxo(3-pyridinyl)methyl]-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-(pyridine-3-carbonyl)piperazin-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-nicotinoyl-piperazin-2-yl]-N-piperonyl-acetamide Formula: C28H28N8O4 MolecularWeight: 540.57312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)C6=CN=CC=C6

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)C6=CN=CC=C6

InChI

InChI=1S/C28H28N8O4/c1-19-11-25(33-28(32-19)35-8-7-30-17-35)36-10-9-34(27(38)21-3-2-6-29-15-21)16-22(36)13-26(37)31-14-20-4-5-23-24(12-20)40-18-39-23/h2-8,11-12,15,17,22H,9-10,13-14,16,18H2,1H3,(H,31,37)