3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide Openeye Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-N-(4-methoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-(2-imidazol-1-ylpyrimidin-4-yl)-3-[2-keto-2-(piperonylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide Formula: C29H30N8O5 MolecularWeight: 570.5991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCN(C(C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCN(C(C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

InChI

InChI=1S/C29H30N8O5/c1-40-23-5-3-21(4-6-23)33-29(39)35-12-13-37(26-8-9-31-28(34-26)36-11-10-30-18-36)22(17-35)15-27(38)32-16-20-2-7-24-25(14-20)42-19-41-24/h2-11,14,18,22H,12-13,15-17,19H2,1H3,(H,32,38)(H,33,39)