N-(4-imidazol-1-yl-3-methyl-phenyl)-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1-benzofuran-3-carboxamide

Systemtic Name: N-(4-imidazol-1-yl-3-methyl-phenyl)-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1-benzofuran-3-carboxamide Openeye Name: N-(4-imidazol-1-yl-3-methyl-phenyl)-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzofuran-3-carboxamide CAS Name: N-[4-(1-imidazolyl)-3-methylphenyl]-5-[(3S,5R)-3,4,5-trimethyl-1-piperazinyl]-3-benzofurancarboxamide IUPAC Name: N-(4-imidazol-1-yl-3-methylphenyl)-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1-benzofuran-3-carboxamide Traditional Name: N-(4-imidazol-1-yl-3-methyl-phenyl)-5-[(3S,5R)-3,4,5-trimethylpiperazino]benzofuran-3-carboxamide Formula: C26H29N5O2 MolecularWeight: 443.54076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C)C)C2=CC3=C(C=C2)OC=C3C(=O)NC4=CC(=C(C=C4)N5C=CN=C5)C

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1C)C)C2=CC3=C(C=C2)OC=C3C(=O)NC4=CC(=C(C=C4)N5C=CN=C5)C

InChI

InChI=1S/C26H29N5O2/c1-17-11-20(5-7-24(17)30-10-9-27-16-30)28-26(32)23-15-33-25-8-6-21(12-22(23)25)31-13-18(2)29(4)19(3)14-31/h5-12,15-16,18-19H,13-14H2,1-4H3,(H,28,32)/t18-,19+