N-(4-bromophenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide

Systemtic Name: N-(4-bromophenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide Openeye Name: N-(4-bromophenyl)-1-(3,4-dimethylphenyl)-5-(4-piperidyl)pyrazole-4-carboxamide CAS Name: N-(4-bromophenyl)-1-(3,4-dimethylphenyl)-5-(4-piperidinyl)-4-pyrazolecarboxamide IUPAC Name: N-(4-bromophenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide Traditional Name: N-(4-bromophenyl)-1-(3,4-dimethylphenyl)-5-(4-piperidyl)pyrazole-4-carboxamide Formula: C23H25BrN4O MolecularWeight: 453.3748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)Br)C4CCNCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)Br)C4CCNCC4)C

InChI

InChI=1S/C23H25BrN4O/c1-15-3-8-20(13-16(15)2)28-22(17-9-11-25-12-10-17)21(14-26-28)23(29)27-19-6-4-18(24)5-7-19/h3-8,13-14,17,25H,9-12H2,1-2H3,(H,27,29)