ethyl 6-azanyl-1-cyclopropyl-8-methyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-azanyl-1-cyclopropyl-8-methyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-amino-1-cyclopropyl-8-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 6-amino-1-cyclopropyl-8-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-1-cyclopropyl-8-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 6-amino-1-cyclopropyl-4-keto-8-methyl-7-(3-methylpiperazino)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=C(C(=C(C=C2C1=O)N)N3CCNC(C3)C)C)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)N)N3CCNC(C3)C)C)C4CC4

InChI

InChI=1S/C21H28N4O3/c1-4-28-21(27)16-11-25(14-5-6-14)18-13(3)19(17(22)9-15(18)20(16)26)24-8-7-23-12(2)10-24/h9,11-12,14,23H,4-8,10,22H2,1-3H3