butyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: butyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: butyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid butyl ester IUPAC Name: butyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(2-imidazol-1-ylpyrimidin-4-yl)-2-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxylic acid butyl ester Formula: C26H31N7O5 MolecularWeight: 521.56824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCN(CC1CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

CCCCOC(=O)N1CCN(CC1CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C26H31N7O5/c1-2-3-12-36-26(35)33-11-10-31(23-6-7-28-25(30-23)32-9-8-27-17-32)16-20(33)14-24(34)29-15-19-4-5-21-22(13-19)38-18-37-21/h4-9,13,17,20H,2-3,10-12,14-16,18H2,1H3,(H,29,34)