6-tert-butyl-3-[[[4-(4-ethanoylpiperazin-1-yl)phenyl]amino]methyl]-1H-quinolin-2-one

Systemtic Name: 6-tert-butyl-3-[[[4-(4-ethanoylpiperazin-1-yl)phenyl]amino]methyl]-1H-quinolin-2-one Openeye Name: 3-[[4-(4-acetylpiperazin-1-yl)anilino]methyl]-6-tert-butyl-1H-quinolin-2-one CAS Name: 3-[[4-(4-acetyl-1-piperazinyl)anilino]methyl]-6-tert-butyl-1H-quinolin-2-one IUPAC Name: 3-[[4-(4-acetylpiperazin-1-yl)anilino]methyl]-6-tert-butyl-1H-quinolin-2-one Traditional Name: 3-[[4-(4-acetylpiperazino)anilino]methyl]-6-tert-butyl-carbostyril Formula: C26H32N4O2 MolecularWeight: 432.55788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NCC3=CC4=C(C=CC(=C4)C(C)(C)C)NC3=O

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NCC3=CC4=C(C=CC(=C4)C(C)(C)C)NC3=O

InChI

InChI=1S/C26H32N4O2/c1-18(31)29-11-13-30(14-12-29)23-8-6-22(7-9-23)27-17-20-15-19-16-21(26(2,3)4)5-10-24(19)28-25(20)32/h5-10,15-16,27H,11-14,17H2,1-4H3,(H,28,32)