ethyl 4-[3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazol-5-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazol-5-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl)piperazine-1-carboxylate CAS Name: 4-[[3-methyl-1-(phenylmethyl)-5-thieno[2,3-c]pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-benzyl-3-methylthieno[2,3-c]pyrazole-5-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(S2)N(N=C3C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(S2)N(N=C3C)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O3S/c1-3-28-21(27)24-11-9-23(10-12-24)19(26)18-13-17-15(2)22-25(20(17)29-18)14-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3