1-ethyl-4-[(3-propoxyphenyl)methylamino]pyrazole-3-carboxylate

Systemtic Name: 1-ethyl-4-[(3-propoxyphenyl)methylamino]pyrazole-3-carboxylate Openeye Name: 1-ethyl-4-[(3-propoxyphenyl)methylamino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[(3-propoxyphenyl)methylamino]-3-pyrazolecarboxylate IUPAC Name: 1-ethyl-4-[(3-propoxyphenyl)methylamino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[(3-propoxybenzyl)amino]pyrazole-3-carboxylate Formula: C16H20N3O3- MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)CNC2=CN(N=C2C(=O)[O-])CC

Isomeric SMILES

CCCOC1=CC=CC(=C1)CNC2=CN(N=C2C(=O)[O-])CC

InChI

InChI=1S/C16H21N3O3/c1-3-8-22-13-7-5-6-12(9-13)10-17-14-11-19(4-2)18-15(14)16(20)21/h5-7,9,11,17H,3-4,8,10H2,1-2H3,(H,20,21)/p-1