ethyl 6-azanyl-1-tert-butyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-azanyl-1-tert-butyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-amino-1-tert-butyl-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 6-amino-1-tert-butyl-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-1-tert-butyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 6-amino-1-tert-butyl-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCN(CC3)C)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCN(CC3)C)C(C)(C)C

InChI

InChI=1S/C21H30N4O3/c1-6-28-20(27)15-13-25(21(2,3)4)17-12-18(16(22)11-14(17)19(15)26)24-9-7-23(5)8-10-24/h11-13H,6-10,22H2,1-5H3