N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(3-methylbutanoyl)piperazine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(3-methylbutanoyl)piperazine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(3-methylbutanoyl)piperazine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-(3-methyl-1-oxobutyl)-2-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-(3-methylbutanoyl)piperazine-2-carboxamide Traditional Name: 4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-isovaleryl-N-piperonyl-piperazine-2-carboxamide Formula: C26H31N7O4 MolecularWeight: 505.56884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)CC(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)CC(C)C

InChI

InChI=1S/C26H31N7O4/c1-17(2)10-24(34)33-9-8-31(23-11-18(3)29-26(30-23)32-7-6-27-15-32)14-20(33)25(35)28-13-19-4-5-21-22(12-19)37-16-36-21/h4-7,11-12,15,17,20H,8-10,13-14,16H2,1-3H3,(H,28,35)