3-cyano-N-(3-methylbutyl)-1-(3-methylphenyl)pyrrole-2-carboxamide

Systemtic Name: 3-cyano-N-(3-methylbutyl)-1-(3-methylphenyl)pyrrole-2-carboxamide Openeye Name: 3-cyano-N-isopentyl-1-(m-tolyl)pyrrole-2-carboxamide CAS Name: 3-cyano-N-(3-methylbutyl)-1-(3-methylphenyl)-2-pyrrolecarboxamide IUPAC Name: 3-cyano-N-(3-methylbutyl)-1-(3-methylphenyl)pyrrole-2-carboxamide Traditional Name: 3-cyano-N-isoamyl-1-(m-tolyl)pyrrole-2-carboxamide Formula: C18H21N3O MolecularWeight: 295.37884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CC(=C2C(=O)NCCC(C)C)C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CC(=C2C(=O)NCCC(C)C)C#N

InChI

InChI=1S/C18H21N3O/c1-13(2)7-9-20-18(22)17-15(12-19)8-10-21(17)16-6-4-5-14(3)11-16/h4-6,8,10-11,13H,7,9H2,1-3H3,(H,20,22)