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

Systemtic Name: N-[(3-bromophenyl)methyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[(3-bromophenyl)methyl]-3-methyl-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[(3-bromophenyl)methyl]-3-methyl-1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[(3-bromophenyl)methyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-(3-bromobenzyl)-3-methyl-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C23H21BrN4O MolecularWeight: 449.34304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN4O/c1-16-8-10-20(11-9-16)28-23(27-12-3-4-13-27)21(17(2)26-28)22(29)25-15-18-6-5-7-19(24)14-18/h3-14H,15H2,1-2H3,(H,25,29)