ethyl 1-(phenylmethyl)-3-[(phenylmethyl)carbamoylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(phenylmethyl)-3-[(phenylmethyl)carbamoylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-benzyl-3-(benzylcarbamoylamino)pyrazole-4-carboxylate CAS Name: 3-[[oxo-[(phenylmethyl)amino]methyl]amino]-1-(phenylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-(benzylcarbamoylamino)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(benzylcarbamoylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1NC(=O)NCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN(N=C1NC(=O)NCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-2-28-20(26)18-15-25(14-17-11-7-4-8-12-17)24-19(18)23-21(27)22-13-16-9-5-3-6-10-16/h3-12,15H,2,13-14H2,1H3,(H2,22,23,24,27)