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

Systemtic Name: methyl 5-azanyl-1-[4-(cyclooctylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-(cyclooctylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(cyclooctylamino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-(cyclooctylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(cyclooctylcarbamoyl)phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3/c1-27-20(26)17-13-22-24(18(17)21)16-11-9-14(10-12-16)19(25)23-15-7-5-3-2-4-6-8-15/h9-13,15H,2-8,21H2,1H3,(H,23,25)