N3-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N1-(4-methoxyphenyl)piperazine-1,3-dicarboxamide

Systemtic Name: N3-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N1-(4-methoxyphenyl)piperazine-1,3-dicarboxamide Openeye Name: N3-[(3-chloro-4-methoxy-phenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N1-(4-methoxyphenyl)piperazine-1,3-dicarboxamide CAS Name: N3-[(3-chloro-4-methoxyphenyl)methyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-N1-(4-methoxyphenyl)piperazine-1,3-dicarboxamide IUPAC Name: 3-N-[(3-chloro-4-methoxyphenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-(4-methoxyphenyl)piperazine-1,3-dicarboxamide Traditional Name: N'-(3-chloro-4-methoxy-benzyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1,3-dicarboxamide Formula: C28H29ClN8O4 MolecularWeight: 577.03406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCN(C(C2)C(=O)NCC3=CC(=C(C=C3)OC)Cl)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCN(C(C2)C(=O)NCC3=CC(=C(C=C3)OC)Cl)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C28H29ClN8O4/c1-40-21-6-4-20(5-7-21)33-28(39)35-13-14-37(25-9-10-31-27(34-25)36-12-11-30-18-36)23(17-35)26(38)32-16-19-3-8-24(41-2)22(29)15-19/h3-12,15,18,23H,13-14,16-17H2,1-2H3,(H,32,38)(H,33,39)