phenyl-[1-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone

Systemtic Name: phenyl-[1-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone Openeye Name: phenyl-[1-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone CAS Name: phenyl-[1-[2-(2H-tetrazol-5-yl)ethyl]-3-pyrrolyl]methanone IUPAC Name: phenyl-[1-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone Traditional Name: phenyl-[1-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone Formula: C14H13N5O MolecularWeight: 267.28592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CN(C=C2)CCC3=NNN=N3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CN(C=C2)CCC3=NNN=N3

InChI

InChI=1S/C14H13N5O/c20-14(11-4-2-1-3-5-11)12-6-8-19(10-12)9-7-13-15-17-18-16-13/h1-6,8,10H,7,9H2,(H,15,16,17,18)