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

Systemtic Name: methyl 5-azanyl-1-[4-(azepan-1-ylcarbonyl)phenyl]pyrazole-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3/c1-25-18(24)15-12-20-22(16(15)19)14-8-6-13(7-9-14)17(23)21-10-4-2-3-5-11-21/h6-9,12H,2-5,10-11,19H2,1H3