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

Systemtic Name: 5-azanyl-1-cyclopropyl-8-methyl-7-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-8-methyl-7-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-8-methyl-7-[(3R)-3-[1-(methylamino)cyclopropyl]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-8-methyl-7-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-4-keto-8-methyl-7-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidino]quinoline-3-carboxylic acid Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1N3CCC(C3)C4(CC4)NC)N)C(=O)C(=CN2C5CC5)C(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1N3CC[C@H](C3)C4(CC4)NC)N)C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C22H28N4O3/c1-12-17(25-8-5-13(10-25)22(24-2)6-7-22)9-16(23)18-19(12)26(14-3-4-14)11-15(20(18)27)21(28)29/h9,11,13-14,24H,3-8,10,23H2,1-2H3,(H,28,29)/t13-/m1/s1