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

Systemtic Name: 5-azanyl-7-[3-[2-cyano-1-(methylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[3-[2-cyano-1-(methylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[3-[2-cyano-1-(methylamino)ethyl]-1-pyrrolidinyl]-1-cyclopropyl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[3-[2-cyano-1-(methylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[3-[2-cyano-1-(methylamino)ethyl]pyrrolidino]-1-cyclopropyl-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1N3CCC(C3)C(CC#N)NC)N)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1N3CCC(C3)C(CC#N)NC)N)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C22H27N5O3/c1-12-18(26-8-6-13(10-26)17(25-2)5-7-23)9-16(24)19-20(12)27(14-3-4-14)11-15(21(19)28)22(29)30/h9,11,13-14,17,25H,3-6,8,10,24H2,1-2H3,(H,29,30)