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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)C4=CC5=CC=CC=C5O4

InChI

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