ethyl 1-methyl-5-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-methyl-5-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methyl-pyrazole-4-carboxylate CAS Name: 1-methyl-5-[[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)NC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)NC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N5O3/c1-3-27-18(25)16-13-20-22(2)17(16)21-19(26)24-11-9-23(10-12-24)14-15-7-5-4-6-8-15/h4-8,13H,3,9-12,14H2,1-2H3,(H,21,26)