5-(4-cyanophenyl)-2-methyl-1-octan-2-yl-pyrrole-3-carboxamide

Systemtic Name: 5-(4-cyanophenyl)-2-methyl-1-octan-2-yl-pyrrole-3-carboxamide Openeye Name: 5-(4-cyanophenyl)-2-methyl-1-(1-methylheptyl)pyrrole-3-carboxamide CAS Name: 5-(4-cyanophenyl)-2-methyl-1-octan-2-yl-3-pyrrolecarboxamide IUPAC Name: 5-(4-cyanophenyl)-2-methyl-1-octan-2-ylpyrrole-3-carboxamide Traditional Name: 5-(4-cyanophenyl)-2-methyl-1-(1-methylheptyl)pyrrole-3-carboxamide Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)N1C(=C(C=C1C2=CC=C(C=C2)C#N)C(=O)N)C

Isomeric SMILES

CCCCCCC(C)N1C(=C(C=C1C2=CC=C(C=C2)C#N)C(=O)N)C

InChI

InChI=1S/C21H27N3O/c1-4-5-6-7-8-15(2)24-16(3)19(21(23)25)13-20(24)18-11-9-17(14-22)10-12-18/h9-13,15H,4-8H2,1-3H3,(H2,23,25)