4-tert-butyl-N-[1-[(3-chlorophenyl)methyl]-3-cyano-4,5-dimethyl-pyrrol-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[1-[(3-chlorophenyl)methyl]-3-cyano-4,5-dimethyl-pyrrol-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[1-[(3-chlorophenyl)methyl]-3-cyano-4,5-dimethyl-pyrrol-2-yl]benzamide CAS Name: 4-tert-butyl-N-[1-[(3-chlorophenyl)methyl]-3-cyano-4,5-dimethyl-2-pyrrolyl]benzamide IUPAC Name: 4-tert-butyl-N-[1-[(3-chlorophenyl)methyl]-3-cyano-4,5-dimethylpyrrol-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[1-(3-chlorobenzyl)-3-cyano-4,5-dimethyl-pyrrol-2-yl]benzamide Formula: C25H26ClN3O MolecularWeight: 419.94644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C2=CC=C(C=C2)C(C)(C)C)CC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C2=CC=C(C=C2)C(C)(C)C)CC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C25H26ClN3O/c1-16-17(2)29(15-18-7-6-8-21(26)13-18)23(22(16)14-27)28-24(30)19-9-11-20(12-10-19)25(3,4)5/h6-13H,15H2,1-5H3,(H,28,30)