2-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one Openeye Name: 2-(4-benzhydrylpiperazine-1-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-one CAS Name: 2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-one IUPAC Name: 2-(4-benzhydrylpiperazine-1-carbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one Traditional Name: 2-(4-benzhydrylpiperazine-1-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-one Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CCC2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C1C(=O)CCC2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N2O3/c1-19-24-22(30)13-8-14-23(24)32-26(19)27(31)29-17-15-28(16-18-29)25(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,25H,8,13-18H2,1H3