ethyl 4-[[4-(3,4-dimethylpiperazin-1-yl)phenyl]amino]-2-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 4-[[4-(3,4-dimethylpiperazin-1-yl)phenyl]amino]-2-methyl-quinoline-3-carboxylate Openeye Name: ethyl 4-[4-(3,4-dimethylpiperazin-1-yl)anilino]-2-methyl-quinoline-3-carboxylate CAS Name: 4-[4-(3,4-dimethyl-1-piperazinyl)anilino]-2-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,4-dimethylpiperazin-1-yl)anilino]-2-methylquinoline-3-carboxylate Traditional Name: 4-[4-(3,4-dimethylpiperazino)anilino]-2-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C)NC3=CC=C(C=C3)N4CCN(C(C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C)NC3=CC=C(C=C3)N4CCN(C(C4)C)C

InChI

InChI=1S/C25H30N4O2/c1-5-31-25(30)23-18(3)26-22-9-7-6-8-21(22)24(23)27-19-10-12-20(13-11-19)29-15-14-28(4)17(2)16-29/h6-13,17H,5,14-16H2,1-4H3,(H,26,27)