ethyl 5-[4-(aminomethyl)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate hydrochloride

Systemtic Name: ethyl 5-[4-(aminomethyl)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate hydrochloride Openeye Name: ethyl 5-[4-(aminomethyl)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate hydrochloride CAS Name: 5-[4-(aminomethyl)phenyl]-1-(4-methoxyphenyl)-3-pyrazolecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 5-[4-(aminomethyl)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate hydrochloride Traditional Name: 5-[4-(aminomethyl)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid ethyl ester hydrochloride Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)CN)C3=CC=C(C=C3)OC.Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)CN)C3=CC=C(C=C3)OC.Cl

InChI

InChI=1S/C20H21N3O3.ClH/c1-3-26-20(24)18-12-19(15-6-4-14(13-21)5-7-15)23(22-18)16-8-10-17(25-2)11-9-16;/h4-12H,3,13,21H2,1-2H3;1H