ethyl 1-[4-(azocan-1-ylcarbonyl)phenyl]-5-(4-bromophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[4-(azocan-1-ylcarbonyl)phenyl]-5-(4-bromophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-(4-bromophenyl)pyrazole-3-carboxylate CAS Name: 1-[4-[1-azocanyl(oxo)methyl]phenyl]-5-(4-bromophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-(4-bromophenyl)pyrazole-3-carboxylate Traditional Name: 1-[4-(azocane-1-carbonyl)phenyl]-5-(4-bromophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C26H28BrN3O3 MolecularWeight: 510.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(=O)N4CCCCCCC4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(=O)N4CCCCCCC4

InChI

InChI=1S/C26H28BrN3O3/c1-2-33-26(32)23-18-24(19-8-12-21(27)13-9-19)30(28-23)22-14-10-20(11-15-22)25(31)29-16-6-4-3-5-7-17-29/h8-15,18H,2-7,16-17H2,1H3