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

Systemtic Name: 5-azanyl-7-[3-[azanyl(1,3-oxazol-2-yl)methyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[3-[amino(oxazol-2-yl)methyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[3-[amino(2-oxazolyl)methyl]-1-pyrrolidinyl]-1-cyclopropyl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[3-[amino(1,3-oxazol-2-yl)methyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[3-[amino(oxazol-2-yl)methyl]pyrrolidino]-1-cyclopropyl-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1N3CCC(C3)C(C4=NC=CO4)N)N)C(=O)C(=CN2C5CC5)C(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1N3CCC(C3)C(C4=NC=CO4)N)N)C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C22H25N5O4/c1-11-16(26-6-4-12(9-26)18(24)21-25-5-7-31-21)8-15(23)17-19(11)27(13-2-3-13)10-14(20(17)28)22(29)30/h5,7-8,10,12-13,18H,2-4,6,9,23-24H2,1H3,(H,29,30)