ethyl 5-azanyl-1-[4-(2-phenylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-(2-phenylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(2-phenylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-(2-phenylpropylamino)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(2-phenylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(2-phenylpropylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c1-3-29-22(28)19-14-25-26(20(19)23)18-11-9-17(10-12-18)21(27)24-13-15(2)16-7-5-4-6-8-16/h4-12,14-15H,3,13,23H2,1-2H3,(H,24,27)