ethyl 1-(1,3-benzothiazol-2-yl)-5-[(4-methylpiperazin-1-yl)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[(4-methylpiperazin-1-yl)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[(4-methylpiperazin-1-yl)methyl]pyrazole-4-carboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)-5-[(4-methyl-1-piperazinyl)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[(4-methylpiperazin-1-yl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)-5-[(4-methylpiperazino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3S2)CN4CCN(CC4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3S2)CN4CCN(CC4)C

InChI

InChI=1S/C19H23N5O2S/c1-3-26-18(25)14-12-20-24(16(14)13-23-10-8-22(2)9-11-23)19-21-15-6-4-5-7-17(15)27-19/h4-7,12H,3,8-11,13H2,1-2H3