N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-1-(oxolan-2-ylcarbonyl)piperazine-2-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-1-(oxolan-2-ylcarbonyl)piperazine-2-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-1-(tetrahydrofuran-2-carbonyl)piperazine-2-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-1-[oxo(2-oxolanyl)methyl]-2-piperazinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-1-(oxolane-2-carbonyl)piperazine-2-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-1-(tetrahydrofuran-2-carbonyl)piperazine-2-carboxamide Formula: C29H35N7O5 MolecularWeight: 561.6321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4COC5=CC=CC=C5O4)C(=O)C6CCCO6

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4COC5=CC=CC=C5O4)C(=O)C6CCCO6

InChI

InChI=1S/C29H35N7O5/c1-19(2)21-14-26(33-29(32-21)35-10-9-30-18-35)34-11-12-36(28(38)25-8-5-13-39-25)22(16-34)27(37)31-15-20-17-40-23-6-3-4-7-24(23)41-20/h3-4,6-7,9-10,14,18-20,22,25H,5,8,11-13,15-17H2,1-2H3,(H,31,37)