ethyl 2-azanyl-2-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]ethanoate hydrochloride

Systemtic Name: ethyl 2-azanyl-2-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]ethanoate hydrochloride Openeye Name: ethyl 2-amino-2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)acetate hydrochloride CAS Name: 2-amino-2-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-amino-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)acetate hydrochloride Traditional Name: 2-amino-2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)acetic acid ethyl ester hydrochloride Formula: C16H22ClN3O2 MolecularWeight: 323.81778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(N(N=C1C)CC2=CC=CC=C2)C)N.Cl

Isomeric SMILES

CCOC(=O)C(C1=C(N(N=C1C)CC2=CC=CC=C2)C)N.Cl

InChI

InChI=1S/C16H21N3O2.ClH/c1-4-21-16(20)15(17)14-11(2)18-19(12(14)3)10-13-8-6-5-7-9-13;/h5-9,15H,4,10,17H2,1-3H3;1H