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

Systemtic Name: 6-tert-butyl-4-[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butyl]-1,4-benzoxazin-3-one Openeye Name: 4-[4-(4-acetylpiperazin-1-yl)-4-oxo-butyl]-6-tert-butyl-1,4-benzoxazin-3-one CAS Name: 4-[4-(4-acetyl-1-piperazinyl)-4-oxobutyl]-6-tert-butyl-1,4-benzoxazin-3-one IUPAC Name: 4-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-tert-butyl-1,4-benzoxazin-3-one Traditional Name: 4-[4-(4-acetylpiperazino)-4-keto-butyl]-6-tert-butyl-1,4-benzoxazin-3-one Formula: C22H31N3O4 MolecularWeight: 401.49924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)COC3=C2C=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)COC3=C2C=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H31N3O4/c1-16(26)23-10-12-24(13-11-23)20(27)6-5-9-25-18-14-17(22(2,3)4)7-8-19(18)29-15-21(25)28/h7-8,14H,5-6,9-13,15H2,1-4H3