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

Systemtic Name: 7-[3-(1-azanyl-2-cyano-2-methyl-propyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(1-amino-2-cyano-2-methyl-propyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(1-amino-2-cyano-2-methylpropyl)-1-pyrrolidinyl]-1-cyclopropyl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(1-amino-2-cyano-2-methylpropyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(1-amino-2-cyano-2-methyl-propyl)pyrrolidino]-1-cyclopropyl-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C23H28N4O3 MolecularWeight: 408.49342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CCC(C4)C(C(C)(C)C#N)N

Isomeric SMILES

CC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CCC(C4)C(C(C)(C)C#N)N

InChI

InChI=1S/C23H28N4O3/c1-13-18(26-9-8-14(10-26)21(25)23(2,3)12-24)7-6-16-19(13)27(15-4-5-15)11-17(20(16)28)22(29)30/h6-7,11,14-15,21H,4-5,8-10,25H2,1-3H3,(H,29,30)