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

Systemtic Name: 6-methyl-4-[[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 4-[[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]-6-methyl-1,4-benzoxazin-3-one CAS Name: 6-methyl-4-[[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]-6-methyl-1,4-benzoxazin-3-one Traditional Name: 4-[4-(4-benzylpiperazine-1-carbonyl)benzyl]-6-methyl-1,4-benzoxazin-3-one Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3/c1-21-7-12-26-25(17-21)31(27(32)20-34-26)19-23-8-10-24(11-9-23)28(33)30-15-13-29(14-16-30)18-22-5-3-2-4-6-22/h2-12,17H,13-16,18-20H2,1H3