N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-(pyridin-3-ylmethyl)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-ylmethyl)piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-(3-pyridylmethyl)piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-(3-pyridinylmethyl)-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-(3-pyridylmethyl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C28H30N8O3 MolecularWeight: 526.5896

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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)CC6=CN=CC=C6

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCO5)CC6=CN=CC=C6

InChI

InChI=1S/C28H30N8O3/c1-20-11-26(33-28(32-20)35-8-7-30-18-35)36-10-9-34(16-22-3-2-6-29-14-22)17-23(36)13-27(37)31-15-21-4-5-24-25(12-21)39-19-38-24/h2-8,11-12,14,18,23H,9-10,13,15-17,19H2,1H3,(H,31,37)