N-(2,3-dihydro-1H-inden-2-yl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(3-methylbutanoyl)piperazine-2-carboxamide

Systemtic Name: N-(2,3-dihydro-1H-inden-2-yl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(3-methylbutanoyl)piperazine-2-carboxamide Openeye Name: 1-(2-imidazol-1-ylpyrimidin-4-yl)-N-indan-2-yl-4-(3-methylbutanoyl)piperazine-2-carboxamide CAS Name: N-(2,3-dihydro-1H-inden-2-yl)-1-[2-(1-imidazolyl)-4-pyrimidinyl]-4-(3-methyl-1-oxobutyl)-2-piperazinecarboxamide IUPAC Name: N-(2,3-dihydro-1H-inden-2-yl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(3-methylbutanoyl)piperazine-2-carboxamide Traditional Name: 1-(2-imidazol-1-ylpyrimidin-4-yl)-N-indan-2-yl-4-isovaleryl-piperazine-2-carboxamide Formula: C26H31N7O2 MolecularWeight: 473.57004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(C(C1)C(=O)NC2CC3=CC=CC=C3C2)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

CC(C)CC(=O)N1CCN(C(C1)C(=O)NC2CC3=CC=CC=C3C2)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C26H31N7O2/c1-18(2)13-24(34)31-11-12-33(23-7-8-28-26(30-23)32-10-9-27-17-32)22(16-31)25(35)29-21-14-19-5-3-4-6-20(19)15-21/h3-10,17-18,21-22H,11-16H2,1-2H3,(H,29,35)