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

Systemtic Name: ethyl 5-azanyl-1-[4-(azepan-1-ylcarbonyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(azepane-1-carbonyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[1-azepanyl(oxo)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(azepane-1-carbonyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(azepane-1-carbonyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCCCCC3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCCCCC3)N

InChI

InChI=1S/C19H24N4O3/c1-2-26-19(25)16-13-21-23(17(16)20)15-9-7-14(8-10-15)18(24)22-11-5-3-4-6-12-22/h7-10,13H,2-6,11-12,20H2,1H3