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

Systemtic Name: ethyl 5-azanyl-1-[4-[(4-propoxyphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[(4-propoxyphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-[(4-propoxyphenyl)methylamino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[(4-propoxyphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(4-propoxybenzyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)N

Isomeric SMILES

CCCOC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)N

InChI

InChI=1S/C23H26N4O4/c1-3-13-31-19-11-5-16(6-12-19)14-25-22(28)17-7-9-18(10-8-17)27-21(24)20(15-26-27)23(29)30-4-2/h5-12,15H,3-4,13-14,24H2,1-2H3,(H,25,28)