ethyl 5-azanyl-1-[1-(phenylmethyl)aziridin-2-yl]carbonyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[1-(phenylmethyl)aziridin-2-yl]carbonyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(1-benzylaziridine-2-carbonyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-[oxo-[1-(phenylmethyl)-2-aziridinyl]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(1-benzylaziridine-2-carbonyl)pyrazole-4-carboxylate Traditional Name: 5-amino-1-(1-benzylethylenimine-2-carbonyl)pyrazole-4-carboxylic acid ethyl ester Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C(=O)C2CN2CC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C(=O)C2CN2CC3=CC=CC=C3)N

InChI

InChI=1S/C16H18N4O3/c1-2-23-16(22)12-8-18-20(14(12)17)15(21)13-10-19(13)9-11-6-4-3-5-7-11/h3-8,13H,2,9-10,17H2,1H3