4-[[3-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-6-ethanoyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[[3-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-6-ethanoyl-1,4-benzoxazin-3-one Openeye Name: 6-acetyl-4-[[3-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 6-acetyl-4-[[3-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-acetyl-4-[[3-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methyl]-1,4-benzoxazin-3-one Traditional Name: 6-acetyl-4-[3-(4-benzhydrylpiperazine-1-carbonyl)benzyl]-1,4-benzoxazin-3-one Formula: C35H33N3O4 MolecularWeight: 559.65422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H33N3O4/c1-25(39)29-15-16-32-31(22-29)38(33(40)24-42-32)23-26-9-8-14-30(21-26)35(41)37-19-17-36(18-20-37)34(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-16,21-22,34H,17-20,23-24H2,1H3