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

Systemtic Name: 5-azanyl-7-[3-(1-azanyl-2-cyano-2-methyl-propyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[3-(1-amino-2-cyano-2-methyl-propyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[3-(1-amino-2-cyano-2-methylpropyl)-1-pyrrolidinyl]-1-cyclopropyl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[3-(1-amino-2-cyano-2-methylpropyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[3-(1-amino-2-cyano-2-methyl-propyl)pyrrolidino]-1-cyclopropyl-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O3/c1-12-17(27-7-6-13(9-27)21(26)23(2,3)11-24)8-16(25)18-19(12)28(14-4-5-14)10-15(20(18)29)22(30)31/h8,10,13-14,21H,4-7,9,25-26H2,1-3H3,(H,30,31)