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

Systemtic Name: N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-(4-o-toluoylpiperazino)phenyl]coumarilamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O3/c1-19-6-2-4-8-23(19)27(32)30-16-14-29(15-17-30)22-12-10-21(11-13-22)28-26(31)25-18-20-7-3-5-9-24(20)33-25/h2-13,18H,14-17H2,1H3,(H,28,31)