1-[4-[(3-butanoyl-5-butyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-(2H-1,2,3,4-tetrazol-5-yl)pyrrole-2-carbonitrile

Systemtic Name: 1-[4-[(3-butanoyl-5-butyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-(2H-1,2,3,4-tetrazol-5-yl)pyrrole-2-carbonitrile Openeye Name: 1-[4-[(3-butanoyl-5-butyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-(2H-tetrazol-5-yl)pyrrole-2-carbonitrile CAS Name: 1-[4-[[5-butyl-3-(1-oxobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]-5-(2H-tetrazol-5-yl)-2-pyrrolecarbonitrile IUPAC Name: 1-[4-[(3-butanoyl-5-butyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-(2H-tetrazol-5-yl)pyrrole-2-carbonitrile Traditional Name: 1-[4-[(5-butyl-3-butyryl-1,2,4-triazol-1-yl)methyl]phenyl]-5-(2H-tetrazol-5-yl)pyrrole-2-carbonitrile Formula: C23H25N9O MolecularWeight: 443.5043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C(=CC=C3C4=NNN=N4)C#N)C(=O)CCC

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C(=CC=C3C4=NNN=N4)C#N)C(=O)CCC

InChI

InChI=1S/C23H25N9O/c1-3-5-7-21-25-23(20(33)6-4-2)28-31(21)15-16-8-10-17(11-9-16)32-18(14-24)12-13-19(32)22-26-29-30-27-22/h8-13H,3-7,15H2,1-2H3,(H,26,27,29,30)