N-(3-chloranyl-4-pyridin-4-yl-phenyl)-5-(3,4,5-trimethylpiperazin-1-yl)-1-benzofuran-3-carboxamide

Systemtic Name: N-(3-chloranyl-4-pyridin-4-yl-phenyl)-5-(3,4,5-trimethylpiperazin-1-yl)-1-benzofuran-3-carboxamide Openeye Name: N-[3-chloro-4-(4-pyridyl)phenyl]-5-(3,4,5-trimethylpiperazin-1-yl)benzofuran-3-carboxamide CAS Name: N-(3-chloro-4-pyridin-4-ylphenyl)-5-(3,4,5-trimethyl-1-piperazinyl)-3-benzofurancarboxamide IUPAC Name: N-(3-chloro-4-pyridin-4-ylphenyl)-5-(3,4,5-trimethylpiperazin-1-yl)-1-benzofuran-3-carboxamide Traditional Name: N-[3-chloro-4-(4-pyridyl)phenyl]-5-(3,4,5-trimethylpiperazino)benzofuran-3-carboxamide Formula: C27H27ClN4O2 MolecularWeight: 474.98188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C)C)C2=CC3=C(C=C2)OC=C3C(=O)NC4=CC(=C(C=C4)C5=CC=NC=C5)Cl

Isomeric SMILES

CC1CN(CC(N1C)C)C2=CC3=C(C=C2)OC=C3C(=O)NC4=CC(=C(C=C4)C5=CC=NC=C5)Cl

InChI

InChI=1S/C27H27ClN4O2/c1-17-14-32(15-18(2)31(17)3)21-5-7-26-23(13-21)24(16-34-26)27(33)30-20-4-6-22(25(28)12-20)19-8-10-29-11-9-19/h4-13,16-18H,14-15H2,1-3H3,(H,30,33)