6-(2-methylbutan-2-yl)-4-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-(2-methylbutan-2-yl)-4-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butyl]-1,4-benzoxazin-3-one Openeye Name: 4-[4-(4-benzylpiperazin-1-yl)-4-oxo-butyl]-6-(1,1-dimethylpropyl)-1,4-benzoxazin-3-one CAS Name: 6-(2-methylbutan-2-yl)-4-[4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-6-(2-methylbutan-2-yl)-1,4-benzoxazin-3-one Traditional Name: 6-tert-amyl-4-[4-(4-benzylpiperazino)-4-keto-butyl]-1,4-benzoxazin-3-one Formula: C28H37N3O3 MolecularWeight: 463.61168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H37N3O3/c1-4-28(2,3)23-12-13-25-24(19-23)31(27(33)21-34-25)14-8-11-26(32)30-17-15-29(16-18-30)20-22-9-6-5-7-10-22/h5-7,9-10,12-13,19H,4,8,11,14-18,20-21H2,1-3H3