3,3-bis(2,4-dimethylphenyl)-2-(1-methyl-1,2,3,4-tetrazol-5-yl)prop-1-en-1-one

Systemtic Name: 3,3-bis(2,4-dimethylphenyl)-2-(1-methyl-1,2,3,4-tetrazol-5-yl)prop-1-en-1-one Openeye Name: 3,3-bis(2,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)prop-1-en-1-one CAS Name: 3,3-bis(2,4-dimethylphenyl)-2-(1-methyl-5-tetrazolyl)-1-propen-1-one IUPAC Name: 3,3-bis(2,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)prop-1-en-1-one Traditional Name: 3,3-bis(2,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)prop-1-en-1-one Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=C(C=C(C=C2)C)C)C(=C=O)C3=NN=NN3C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=C(C=C(C=C2)C)C)C(=C=O)C3=NN=NN3C)C

InChI

InChI=1S/C21H22N4O/c1-13-6-8-17(15(3)10-13)20(18-9-7-14(2)11-16(18)4)19(12-26)21-22-23-24-25(21)5/h6-11,20H,1-5H3