ethyl 5-azanyl-1-[4-[(3-ethanoylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[(3-ethanoylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(3-acetylphenyl)carbamoyl]phenyl]-5-amino-pyrazole-4-carboxylate CAS Name: 1-[4-[(3-acetylanilino)-oxomethyl]phenyl]-5-amino-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3-acetylphenyl)carbamoyl]phenyl]-5-aminopyrazole-4-carboxylate Traditional Name: 1-[4-[(3-acetylphenyl)carbamoyl]phenyl]-5-amino-pyrazole-4-carboxylic acid ethyl ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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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=CC(=C3)C(=O)C)N

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4/c1-3-29-21(28)18-12-23-25(19(18)22)17-9-7-14(8-10-17)20(27)24-16-6-4-5-15(11-16)13(2)26/h4-12H,3,22H2,1-2H3,(H,24,27)