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

Systemtic Name: 6-tert-butyl-4-[[3-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 6-tert-butyl-4-[[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 6-tert-butyl-4-[[3-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-tert-butyl-4-[[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one Traditional Name: 6-tert-butyl-4-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]benzyl]-1,4-benzoxazin-3-one Formula: C30H32ClN3O3 MolecularWeight: 518.04638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32ClN3O3/c1-30(2,3)23-10-11-27-26(17-23)34(28(35)20-37-27)19-21-6-4-7-22(16-21)29(36)33-14-12-32(13-15-33)25-9-5-8-24(31)18-25/h4-11,16-18H,12-15,19-20H2,1-3H3