N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-pyridin-3-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-pyridin-3-ylcarbonyl-piperazine-2-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-[oxo(3-pyridinyl)methyl]-2-piperazinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide Traditional Name: N-homopiperonyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-nicotinoyl-piperazine-2-carboxamide Formula: C28H28N8O4 MolecularWeight: 540.57312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3C(=O)NCCC4=CC5=C(C=C4)OCO5)C(=O)C6=CN=CC=C6

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3C(=O)NCCC4=CC5=C(C=C4)OCO5)C(=O)C6=CN=CC=C6

InChI

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