N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzofuran-2-carboxamide CAS Name: N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[3-chloro-4-(4-o-toluoylpiperazino)phenyl]coumarilamide Formula: C27H24ClN3O3 MolecularWeight: 473.95076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC5=CC=CC=C5O4)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC5=CC=CC=C5O4)Cl

InChI

InChI=1S/C27H24ClN3O3/c1-18-6-2-4-8-21(18)27(33)31-14-12-30(13-15-31)23-11-10-20(17-22(23)28)29-26(32)25-16-19-7-3-5-9-24(19)34-25/h2-11,16-17H,12-15H2,1H3,(H,29,32)