(phenylmethyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: benzyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-oxomethyl]-4-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)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)C(=O)NCC4=CC5=C(C=C4)OCCO5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC5=C(C=C4)OCCO5)C(=O)OCC6=CC=CC=C6

InChI

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