1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-(5-phenyl-2-tetrazolyl)ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone Formula: C18H19N5O MolecularWeight: 321.37636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CN2N=C(N=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CN2N=C(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H19N5O/c1-4-10-22-13(2)11-16(14(22)3)17(24)12-23-20-18(19-21-23)15-8-6-5-7-9-15/h4-9,11H,1,10,12H2,2-3H3