N-butyl-3-cyano-1-[2-(phenylmethyl)phenyl]pyrrole-2-carboxamide

Systemtic Name: N-butyl-3-cyano-1-[2-(phenylmethyl)phenyl]pyrrole-2-carboxamide Openeye Name: 1-(2-benzylphenyl)-N-butyl-3-cyano-pyrrole-2-carboxamide CAS Name: N-butyl-3-cyano-1-[2-(phenylmethyl)phenyl]-2-pyrrolecarboxamide IUPAC Name: 1-(2-benzylphenyl)-N-butyl-3-cyanopyrrole-2-carboxamide Traditional Name: 1-(2-benzylphenyl)-N-butyl-3-cyano-pyrrole-2-carboxamide Formula: C23H23N3O MolecularWeight: 357.44822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C=CN1C2=CC=CC=C2CC3=CC=CC=C3)C#N

Isomeric SMILES

CCCCNC(=O)C1=C(C=CN1C2=CC=CC=C2CC3=CC=CC=C3)C#N

InChI

InChI=1S/C23H23N3O/c1-2-3-14-25-23(27)22-20(17-24)13-15-26(22)21-12-8-7-11-19(21)16-18-9-5-4-6-10-18/h4-13,15H,2-3,14,16H2,1H3,(H,25,27)