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

Systemtic Name: 5-azanyl-7-[3-[2-cyano-2-methyl-1-(methylamino)propyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[3-[2-cyano-2-methyl-1-(methylamino)propyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[3-[2-cyano-2-methyl-1-(methylamino)propyl]-1-pyrrolidinyl]-1-cyclopropyl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[3-[2-cyano-2-methyl-1-(methylamino)propyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[3-[2-cyano-2-methyl-1-(methylamino)propyl]pyrrolidino]-1-cyclopropyl-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O3/c1-13-18(28-8-7-14(10-28)22(27-4)24(2,3)12-25)9-17(26)19-20(13)29(15-5-6-15)11-16(21(19)30)23(31)32/h9,11,14-15,22,27H,5-8,10,26H2,1-4H3,(H,31,32)