(phenylmethyl) 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: benzyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-2-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxylic acid benzyl ester Formula: C32H35N7O5 MolecularWeight: 597.6642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)CC(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)CC(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C32H35N7O5/c1-22(2)26-16-29(36-31(35-26)38-11-10-33-20-38)37-12-13-39(32(41)42-19-23-6-4-3-5-7-23)25(18-37)15-30(40)34-17-24-8-9-27-28(14-24)44-21-43-27/h3-11,14,16,20,22,25H,12-13,15,17-19,21H2,1-2H3,(H,34,40)