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

Systemtic Name: 5-azanyl-7-[3-[2-cyano-1-(methylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[3-[2-cyano-1-(methylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[3-[2-cyano-1-(methylamino)ethyl]-1-pyrrolidinyl]-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[3-[2-cyano-1-(methylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[3-[2-cyano-1-(methylamino)ethyl]pyrrolidino]-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC#N)C1CCN(C1)C2=CC(=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)N

Isomeric SMILES

CNC(CC#N)C1CCN(C1)C2=CC(=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)N

InChI

InChI=1S/C22H27N5O4/c1-25-16(5-7-23)12-6-8-26(10-12)17-9-15(24)18-19(21(17)31-2)27(13-3-4-13)11-14(20(18)28)22(29)30/h9,11-13,16,25H,3-6,8,10,24H2,1-2H3,(H,29,30)