6-azanyl-1-tert-butyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1-tert-butyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-amino-1-tert-butyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-amino-1-tert-butyl-7-[4-(2-methoxyphenyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-tert-butyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-amino-1-tert-butyl-4-keto-7-[4-(2-methoxyphenyl)piperazino]quinoline-3-carboxylic acid Formula: C25H30N4O4 MolecularWeight: 450.5301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=C4OC)N)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=C4OC)N)C(=O)O

InChI

InChI=1S/C25H30N4O4/c1-25(2,3)29-15-17(24(31)32)23(30)16-13-18(26)21(14-20(16)29)28-11-9-27(10-12-28)19-7-5-6-8-22(19)33-4/h5-8,13-15H,9-12,26H2,1-4H3,(H,31,32)