4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxidanylidene-ethyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxidanylidene-ethyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxo-ethyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-keto-ethyl]-N-phenyl-piperazine-1-carboxamide Formula: C29H29ClN8O4 MolecularWeight: 589.04476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)NC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCCO4)C5=CC(=NC(=N5)N6C=CN=C6)Cl

Isomeric SMILES

C1CN(C(CN1C(=O)NC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCCO4)C5=CC(=NC(=N5)N6C=CN=C6)Cl

InChI

InChI=1S/C29H29ClN8O4/c30-25-16-26(35-28(34-25)37-9-8-31-19-37)38-11-10-36(29(40)33-21-4-2-1-3-5-21)18-22(38)15-27(39)32-17-20-6-7-23-24(14-20)42-13-12-41-23/h1-9,14,16,19,22H,10-13,15,17-18H2,(H,32,39)(H,33,40)