N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(2-phenoxyethanoyl)piperazine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(2-phenoxyethanoyl)piperazine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(2-phenoxyacetyl)piperazine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-(1-oxo-2-phenoxyethyl)-2-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(2-phenoxyacetyl)piperazine-2-carboxamide Traditional Name: 4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(2-phenoxyacetyl)-N-piperonyl-piperazine-2-carboxamide Formula: C28H27N7O5 MolecularWeight: 541.55788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)COC6=CC=CC=C6

Isomeric SMILES

C1CN(C(CN1C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)COC6=CC=CC=C6

InChI

InChI=1S/C28H27N7O5/c36-26(17-38-21-4-2-1-3-5-21)35-13-12-33(25-8-9-30-28(32-25)34-11-10-29-18-34)16-22(35)27(37)31-15-20-6-7-23-24(14-20)40-19-39-23/h1-11,14,18,22H,12-13,15-17,19H2,(H,31,37)