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

Systemtic Name: ethyl 5-azanyl-1-[4-(cyclooctylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(cyclooctylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(cyclooctylamino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(cyclooctylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(cyclooctylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3CCCCCCC3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3CCCCCCC3)N

InChI

InChI=1S/C21H28N4O3/c1-2-28-21(27)18-14-23-25(19(18)22)17-12-10-15(11-13-17)20(26)24-16-8-6-4-3-5-7-9-16/h10-14,16H,2-9,22H2,1H3,(H,24,26)