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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-pyridin-3-ylcarbonyl-piperazin-2-yl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-(pyridine-3-carbonyl)piperazin-2-yl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-[oxo(3-pyridinyl)methyl]-2-piperazinyl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-(pyridine-3-carbonyl)piperazin-2-yl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-nicotinoyl-piperazin-2-yl]acetamide Formula: C29H30N8O4 MolecularWeight: 554.5997

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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)OCCO5)C(=O)C6=CN=CC=C6

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCCO5)C(=O)C6=CN=CC=C6

InChI

InChI=1S/C29H30N8O4/c1-20-13-26(34-29(33-20)36-8-7-31-19-36)37-10-9-35(28(39)22-3-2-6-30-17-22)18-23(37)15-27(38)32-16-21-4-5-24-25(14-21)41-12-11-40-24/h2-8,13-14,17,19,23H,9-12,15-16,18H2,1H3,(H,32,38)