ethyl 5-[(2-azanyl-5-methoxy-phenyl)-oxidanyl-methyl]-2-(phenylcarbonyl)-3,4-dihydropyrazole-3-carboxylate

Systemtic Name: ethyl 5-[(2-azanyl-5-methoxy-phenyl)-oxidanyl-methyl]-2-(phenylcarbonyl)-3,4-dihydropyrazole-3-carboxylate Openeye Name: ethyl 5-[(2-amino-5-methoxy-phenyl)-hydroxy-methyl]-2-benzoyl-3,4-dihydropyrazole-3-carboxylate CAS Name: 5-[(2-amino-5-methoxyphenyl)-hydroxymethyl]-2-benzoyl-3,4-dihydropyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-amino-5-methoxyphenyl)-hydroxymethyl]-2-benzoyl-3,4-dihydropyrazole-3-carboxylate Traditional Name: 5-[(2-amino-5-methoxy-phenyl)-hydroxy-methyl]-2-benzoyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(=NN1C(=O)C2=CC=CC=C2)C(C3=C(C=CC(=C3)OC)N)O

Isomeric SMILES

CCOC(=O)C1CC(=NN1C(=O)C2=CC=CC=C2)C(C3=C(C=CC(=C3)OC)N)O

InChI

InChI=1S/C21H23N3O5/c1-3-29-21(27)18-12-17(19(25)15-11-14(28-2)9-10-16(15)22)23-24(18)20(26)13-7-5-4-6-8-13/h4-11,18-19,25H,3,12,22H2,1-2H3