7-[3-(1-azanyl-2-cyano-2-methyl-propyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(1-azanyl-2-cyano-2-methyl-propyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(1-amino-2-cyano-2-methyl-propyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(1-amino-2-cyano-2-methylpropyl)-1-pyrrolidinyl]-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(1-amino-2-cyano-2-methylpropyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(1-amino-2-cyano-2-methyl-propyl)pyrrolidino]-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C23H28N4O4 MolecularWeight: 424.49282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C(C1CCN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC)N

Isomeric SMILES

CC(C)(C#N)C(C1CCN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC)N

InChI

InChI=1S/C23H28N4O4/c1-23(2,12-24)21(25)13-8-9-26(10-13)17-7-6-15-18(20(17)31-3)27(14-4-5-14)11-16(19(15)28)22(29)30/h6-7,11,13-14,21H,4-5,8-10,25H2,1-3H3,(H,29,30)