ethyl 6-azanyl-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-azanyl-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 6-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 6-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazino]-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CC(NC(C3)C)C)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3C[C@H](N[C@H](C3)C)C)C4CC4

InChI

InChI=1S/C21H28N4O3/c1-4-28-21(27)16-11-25(14-5-6-14)18-8-19(17(22)7-15(18)20(16)26)24-9-12(2)23-13(3)10-24/h7-8,11-14,23H,4-6,9-10,22H2,1-3H3/t12-,13+