ethyl 1-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-5-azanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-5-azanyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-5-amino-pyrazole-4-carboxylate CAS Name: 1-[4-[(4-acetamidoanilino)-oxomethyl]phenyl]-5-amino-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-5-aminopyrazole-4-carboxylate Traditional Name: 1-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-5-amino-pyrazole-4-carboxylic acid ethyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C)N

InChI

InChI=1S/C21H21N5O4/c1-3-30-21(29)18-12-23-26(19(18)22)17-10-4-14(5-11-17)20(28)25-16-8-6-15(7-9-16)24-13(2)27/h4-12H,3,22H2,1-2H3,(H,24,27)(H,25,28)