methyl 5-azanyl-1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(homoveratrylcarbamoyl)phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N)OC

InChI

InChI=1S/C22H24N4O5/c1-29-18-9-4-14(12-19(18)30-2)10-11-24-21(27)15-5-7-16(8-6-15)26-20(23)17(13-25-26)22(28)31-3/h4-9,12-13H,10-11,23H2,1-3H3,(H,24,27)