N-[2,3-bis(chloranyl)phenyl]-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1-benzofuran-3-carboxamide

Systemtic Name: N-[2,3-bis(chloranyl)phenyl]-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1-benzofuran-3-carboxamide Openeye Name: N-(2,3-dichlorophenyl)-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]benzofuran-3-carboxamide CAS Name: N-(2,3-dichlorophenyl)-5-[(3R,5S)-3,4,5-trimethyl-1-piperazinyl]-3-benzofurancarboxamide IUPAC Name: N-(2,3-dichlorophenyl)-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1-benzofuran-3-carboxamide Traditional Name: N-(2,3-dichlorophenyl)-5-[(3R,5S)-3,4,5-trimethylpiperazino]benzofuran-3-carboxamide Formula: C22H23Cl2N3O2 MolecularWeight: 432.34292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23Cl2N3O2/c1-13-10-27(11-14(2)26(13)3)15-7-8-20-16(9-15)17(12-29-20)22(28)25-19-6-4-5-18(23)21(19)24/h4-9,12-14H,10-11H2,1-3H3,(H,25,28)/t13-,14+