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

Systemtic Name: 6-tert-butyl-4-[4-[4-(diphenylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,4-benzoxazin-3-one Openeye Name: 4-[4-(4-benzhydrylpiperazin-1-yl)-4-oxo-butyl]-6-tert-butyl-1,4-benzoxazin-3-one CAS Name: 6-tert-butyl-4-[4-[4-(diphenylmethyl)-1-piperazinyl]-4-oxobutyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[4-(4-benzhydrylpiperazin-1-yl)-4-oxobutyl]-6-tert-butyl-1,4-benzoxazin-3-one Traditional Name: 4-[4-(4-benzhydrylpiperazino)-4-keto-butyl]-6-tert-butyl-1,4-benzoxazin-3-one Formula: C33H39N3O3 MolecularWeight: 525.68106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H39N3O3/c1-33(2,3)27-16-17-29-28(23-27)36(31(38)24-39-29)18-10-15-30(37)34-19-21-35(22-20-34)32(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-9,11-14,16-17,23,32H,10,15,18-22,24H2,1-3H3