ethyl 6-azanyl-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-8-methyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-azanyl-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-8-methyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-8-methyl-4-oxo-quinoline-3-carboxylate CAS Name: 6-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-8-methyl-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-8-methyl-4-oxoquinoline-3-carboxylate Traditional Name: 6-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazino]-4-keto-8-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3/c1-5-29-22(28)17-11-26(15-6-7-15)19-14(4)20(18(23)8-16(19)21(17)27)25-9-12(2)24-13(3)10-25/h8,11-13,15,24H,5-7,9-10,23H2,1-4H3/t12-,13+