6-tert-butyl-4-[[3-[4-(2-methylphenyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-tert-butyl-4-[[3-[4-(2-methylphenyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 6-tert-butyl-4-[[3-[4-(o-tolyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 6-tert-butyl-4-[[3-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-tert-butyl-4-[[3-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one Traditional Name: 6-tert-butyl-4-[3-[4-(o-tolyl)piperazine-1-carbonyl]benzyl]-1,4-benzoxazin-3-one Formula: C31H35N3O3 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4C(=O)COC5=C4C=C(C=C5)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4C(=O)COC5=C4C=C(C=C5)C(C)(C)C

InChI

InChI=1S/C31H35N3O3/c1-22-8-5-6-11-26(22)32-14-16-33(17-15-32)30(36)24-10-7-9-23(18-24)20-34-27-19-25(31(2,3)4)12-13-28(27)37-21-29(34)35/h5-13,18-19H,14-17,20-21H2,1-4H3