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

Systemtic Name: 6-tert-butyl-4-[[3-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 4-[[3-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]-6-tert-butyl-1,4-benzoxazin-3-one CAS Name: 6-tert-butyl-4-[[3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[[3-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]-6-tert-butyl-1,4-benzoxazin-3-one Traditional Name: 4-[3-(4-benzylpiperazine-1-carbonyl)benzyl]-6-tert-butyl-1,4-benzoxazin-3-one Formula: C31H35N3O3 MolecularWeight: 497.6279

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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)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C31H35N3O3/c1-31(2,3)26-12-13-28-27(19-26)34(29(35)22-37-28)21-24-10-7-11-25(18-24)30(36)33-16-14-32(15-17-33)20-23-8-5-4-6-9-23/h4-13,18-19H,14-17,20-22H2,1-3H3