7-(3-azanylpyrrolidin-1-yl)-8-cyano-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3-azanylpyrrolidin-1-yl)-8-cyano-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-aminopyrrolidin-1-yl)-8-cyano-1-cyclopropyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-amino-1-pyrrolidinyl)-8-cyano-1-cyclopropyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-aminopyrrolidino)-8-cyano-1-cyclopropyl-4-keto-quinoline-3-carboxylic acid Formula: C18H18N4O3 MolecularWeight: 338.36052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C=C3)N4CCC(C4)N)C#N)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C=C3)N4CCC(C4)N)C#N)C(=O)O

InChI

InChI=1S/C18H18N4O3/c19-7-13-15(21-6-5-10(20)8-21)4-3-12-16(13)22(11-1-2-11)9-14(17(12)23)18(24)25/h3-4,9-11H,1-2,5-6,8,20H2,(H,24,25)