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

Systemtic Name: 7-[3-(2-azanyl-2-cyano-ethyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(2-amino-2-cyano-ethyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(2-amino-2-cyanoethyl)-1-pyrrolidinyl]-1-cyclopropyl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(2-amino-2-cyanoethyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(2-amino-2-cyano-ethyl)pyrrolidino]-1-cyclopropyl-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c1-12-18(24-7-6-13(10-24)8-14(23)9-22)5-4-16-19(12)25(15-2-3-15)11-17(20(16)26)21(27)28/h4-5,11,13-15H,2-3,6-8,10,23H2,1H3,(H,27,28)