1-(3,4-dimethylphenyl)-4-(5-pyridin-4-yl-1,2,3,4-tetrazol-2-yl)butan-1-one

Systemtic Name: 1-(3,4-dimethylphenyl)-4-(5-pyridin-4-yl-1,2,3,4-tetrazol-2-yl)butan-1-one Openeye Name: 1-(3,4-dimethylphenyl)-4-[5-(4-pyridyl)tetrazol-2-yl]butan-1-one CAS Name: 1-(3,4-dimethylphenyl)-4-(5-pyridin-4-yl-2-tetrazolyl)-1-butanone IUPAC Name: 1-(3,4-dimethylphenyl)-4-(5-pyridin-4-yltetrazol-2-yl)butan-1-one Traditional Name: 1-(3,4-dimethylphenyl)-4-[5-(4-pyridyl)tetrazol-2-yl]butan-1-one Formula: C18H19N5O MolecularWeight: 321.37636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCCN2N=C(N=N2)C3=CC=NC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCCN2N=C(N=N2)C3=CC=NC=C3)C

InChI

InChI=1S/C18H19N5O/c1-13-5-6-16(12-14(13)2)17(24)4-3-11-23-21-18(20-22-23)15-7-9-19-10-8-15/h5-10,12H,3-4,11H2,1-2H3