phenyl 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: phenyl 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: phenyl 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-[6-(1-imidazolyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(6-imidazol-1-ylpyrimidin-4-yl)-2-(piperonylcarbamoyl)piperazine-1-carboxylic acid phenyl ester Formula: C27H25N7O5 MolecularWeight: 527.5313

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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)OC6=CC=CC=C6

Isomeric SMILES

C1CN(C(CN1C2=NC=NC(=C2)N3C=CN=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)OC6=CC=CC=C6

InChI

InChI=1S/C27H25N7O5/c35-26(29-14-19-6-7-22-23(12-19)38-18-37-22)21-15-32(24-13-25(31-16-30-24)33-9-8-28-17-33)10-11-34(21)27(36)39-20-4-2-1-3-5-20/h1-9,12-13,16-17,21H,10-11,14-15,18H2,(H,29,35)