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

Systemtic Name: 6-tert-butyl-4-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,4-benzoxazin-3-one Openeye Name: 6-tert-butyl-4-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-butyl]-1,4-benzoxazin-3-one CAS Name: 6-tert-butyl-4-[4-[4-(3-chlorophenyl)-1-piperazinyl]-4-oxobutyl]-1,4-benzoxazin-3-one IUPAC Name: 6-tert-butyl-4-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-1,4-benzoxazin-3-one Traditional Name: 6-tert-butyl-4-[4-[4-(3-chlorophenyl)piperazino]-4-keto-butyl]-1,4-benzoxazin-3-one Formula: C26H32ClN3O3 MolecularWeight: 470.00358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32ClN3O3/c1-26(2,3)19-9-10-23-22(16-19)30(25(32)18-33-23)11-5-8-24(31)29-14-12-28(13-15-29)21-7-4-6-20(27)17-21/h4,6-7,9-10,16-17H,5,8,11-15,18H2,1-3H3