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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(oxolan-2-ylcarbonyl)piperazine-2-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(tetrahydrofuran-2-carbonyl)piperazine-2-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[oxo(2-oxolanyl)methyl]-2-piperazinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-(oxolane-2-carbonyl)piperazine-2-carboxamide Traditional Name: N-homopiperonyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(tetrahydrofuran-2-carbonyl)piperazine-2-carboxamide Formula: C27H31N7O5 MolecularWeight: 533.57894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCCC4=CC5=C(C=C4)OCO5)C(=O)C6CCCO6

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCCC4=CC5=C(C=C4)OCO5)C(=O)C6CCCO6

InChI

InChI=1S/C27H31N7O5/c1-18-13-24(31-27(30-18)33-9-8-28-16-33)32-10-11-34(26(36)22-3-2-12-37-22)20(15-32)25(35)29-7-6-19-4-5-21-23(14-19)39-17-38-21/h4-5,8-9,13-14,16,20,22H,2-3,6-7,10-12,15,17H2,1H3,(H,29,35)