N-(1,3-benzodioxol-5-ylmethyl)-1-(4-tert-butylphenyl)-3-cyano-pyrrole-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-tert-butylphenyl)-3-cyano-pyrrole-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-tert-butylphenyl)-3-cyano-pyrrole-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-tert-butylphenyl)-3-cyano-2-pyrrolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-tert-butylphenyl)-3-cyanopyrrole-2-carboxamide Traditional Name: 1-(4-tert-butylphenyl)-3-cyano-N-piperonyl-pyrrole-2-carboxamide Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C=CC(=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C=CC(=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C24H23N3O3/c1-24(2,3)18-5-7-19(8-6-18)27-11-10-17(13-25)22(27)23(28)26-14-16-4-9-20-21(12-16)30-15-29-20/h4-12H,14-15H2,1-3H3,(H,26,28)