5-azanyl-7-[3-(1-azanyl-2-cyano-2-methyl-propyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-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-methoxy-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-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[3-(1-amino-2-cyano-2-methylpropyl)-1-pyrrolidinyl]-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[3-(1-amino-2-cyano-2-methylpropyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[3-(1-amino-2-cyano-2-methyl-propyl)pyrrolidino]-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O4/c1-23(2,11-24)21(26)12-6-7-27(9-12)16-8-15(25)17-18(20(16)32-3)28(13-4-5-13)10-14(19(17)29)22(30)31/h8,10,12-13,21H,4-7,9,25-26H2,1-3H3,(H,30,31)