1-[(3-chlorophenyl)methyl]-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxamide

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxamide Openeye Name: 1-[(3-chlorophenyl)methyl]-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxamide CAS Name: 1-[(3-chlorophenyl)methyl]-4-(4-cyanophenyl)-2,5-dimethyl-3-pyrrolecarboxamide IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-(4-cyanophenyl)-2,5-dimethylpyrrole-3-carboxamide Traditional Name: 1-(3-chlorobenzyl)-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxamide Formula: C21H18ClN3O MolecularWeight: 363.84012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC(=CC=C2)Cl)C)C(=O)N)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC(=CC=C2)Cl)C)C(=O)N)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H18ClN3O/c1-13-19(17-8-6-15(11-23)7-9-17)20(21(24)26)14(2)25(13)12-16-4-3-5-18(22)10-16/h3-10H,12H2,1-2H3,(H2,24,26)