ethyl 5-azanyl-1-[4-[(4-ethoxyphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[(4-ethoxyphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[(4-ethoxyphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[(4-ethoxyphenyl)methylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[(4-ethoxyphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(4-ethoxybenzyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)N

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)N

InChI

InChI=1S/C22H24N4O4/c1-3-29-18-11-5-15(6-12-18)13-24-21(27)16-7-9-17(10-8-16)26-20(23)19(14-25-26)22(28)30-4-2/h5-12,14H,3-4,13,23H2,1-2H3,(H,24,27)