ethyl 1-(7-chloranylquinolin-4-yl)-5-[(4-methylpiperazin-1-yl)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(7-chloranylquinolin-4-yl)-5-[(4-methylpiperazin-1-yl)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(7-chloro-4-quinolyl)-5-[(4-methylpiperazin-1-yl)methyl]pyrazole-4-carboxylate CAS Name: 1-(7-chloro-4-quinolinyl)-5-[(4-methyl-1-piperazinyl)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7-chloroquinolin-4-yl)-5-[(4-methylpiperazin-1-yl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(7-chloro-4-quinolyl)-5-[(4-methylpiperazino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H24ClN5O2 MolecularWeight: 413.90056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)CN4CCN(CC4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)CN4CCN(CC4)C

InChI

InChI=1S/C21H24ClN5O2/c1-3-29-21(28)17-13-24-27(20(17)14-26-10-8-25(2)9-11-26)19-6-7-23-18-12-15(22)4-5-16(18)19/h4-7,12-13H,3,8-11,14H2,1-2H3