8-[3-azanyl-4-[(3S,4S)-3-azanyl-4-ethynyl-pyrrolidin-1-yl]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 8-[3-azanyl-4-[(3S,4S)-3-azanyl-4-ethynyl-pyrrolidin-1-yl]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 8-[3-amino-4-[(3S,4S)-3-amino-4-ethynyl-pyrrolidin-1-yl]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 8-[3-amino-4-[(3S,4S)-3-amino-4-ethynyl-1-pyrrolidinyl]-1-pyrrolidinyl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 8-[3-amino-4-[(3S,4S)-3-amino-4-ethynylpyrrolidin-1-yl]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 8-[3-amino-4-[(3S,4S)-3-amino-4-ethynyl-pyrrolidino]pyrrolidino]-1-cyclopropyl-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C24H28FN5O3 MolecularWeight: 453.509223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC(C(C4)N5CC(C(C5)N)C#C)N

Isomeric SMILES

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC(C(C4)N5C[C@@H]([C@@H](C5)N)C#C)N

InChI

InChI=1S/C24H28FN5O3/c1-3-13-7-28(9-18(13)26)20-11-29(10-19(20)27)22-12(2)21-15(14-4-5-14)6-16(24(32)33)23(31)30(21)8-17(22)25/h1,6,8,13-14,18-20H,4-5,7,9-11,26-27H2,2H3,(H,32,33)/t13-,18+,19?,20?/m0/s1