methyl 3-azanyl-3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: methyl 3-azanyl-3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: methyl 3-amino-3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-amino-3-(1-phenyl-4-pyrazolyl)propanoic acid methyl ester IUPAC Name: methyl 3-amino-3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-amino-3-(1-phenylpyrazol-4-yl)propionic acid methyl ester Formula: C13H15N3O2 MolecularWeight: 245.2771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CN(N=C1)C2=CC=CC=C2)N

Isomeric SMILES

COC(=O)CC(C1=CN(N=C1)C2=CC=CC=C2)N

InChI

InChI=1S/C13H15N3O2/c1-18-13(17)7-12(14)10-8-15-16(9-10)11-5-3-2-4-6-11/h2-6,8-9,12H,7,14H2,1H3