N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[(3-bromophenyl)methyl]-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-(3-bromobenzyl)-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C22H19BrN4O MolecularWeight: 435.31646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=CC(=CC=C3)Br)N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=CC(=CC=C3)Br)N4C=CC=C4

InChI

InChI=1S/C22H19BrN4O/c1-16-7-9-19(10-8-16)27-22(26-11-2-3-12-26)20(15-25-27)21(28)24-14-17-5-4-6-18(23)13-17/h2-13,15H,14H2,1H3,(H,24,28)