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

Systemtic Name: 4-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-6-(2-methylbutan-2-yl)-1,4-benzoxazin-3-one Openeye Name: 6-(1,1-dimethylpropyl)-4-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxo-butyl]-1,4-benzoxazin-3-one CAS Name: 4-[4-[4-(2-ethoxyphenyl)-1-piperazinyl]-4-oxobutyl]-6-(2-methylbutan-2-yl)-1,4-benzoxazin-3-one IUPAC Name: 4-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutyl]-6-(2-methylbutan-2-yl)-1,4-benzoxazin-3-one Traditional Name: 6-tert-amyl-4-[4-keto-4-(4-o-phenetylpiperazino)butyl]-1,4-benzoxazin-3-one Formula: C29H39N3O4 MolecularWeight: 493.63766

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)C4=CC=CC=C4OCC

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)C4=CC=CC=C4OCC

InChI

InChI=1S/C29H39N3O4/c1-5-29(3,4)22-13-14-26-24(20-22)32(28(34)21-36-26)15-9-12-27(33)31-18-16-30(17-19-31)23-10-7-8-11-25(23)35-6-2/h7-8,10-11,13-14,20H,5-6,9,12,15-19,21H2,1-4H3