(3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester IUPAC Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)ONC3=NCCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)ONC3=NCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3/c1-29-19-13-11-17(12-14-19)22-20(16-27(25-22)18-8-4-2-5-9-18)23(28)30-26-21-10-6-3-7-15-24-21/h2,4-5,8-9,11-14,16H,3,6-7,10,15H2,1H3,(H,24,26)