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

Systemtic Name: 1-(4-methylphenyl)-4-(5-pyridin-4-yl-1,2,3,4-tetrazol-2-yl)butan-1-one Openeye Name: 1-(p-tolyl)-4-[5-(4-pyridyl)tetrazol-2-yl]butan-1-one CAS Name: 1-(4-methylphenyl)-4-(5-pyridin-4-yl-2-tetrazolyl)-1-butanone IUPAC Name: 1-(4-methylphenyl)-4-(5-pyridin-4-yltetrazol-2-yl)butan-1-one Traditional Name: 1-(p-tolyl)-4-[5-(4-pyridyl)tetrazol-2-yl]butan-1-one Formula: C17H17N5O MolecularWeight: 307.34978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O/c1-13-4-6-14(7-5-13)16(23)3-2-12-22-20-17(19-21-22)15-8-10-18-11-9-15/h4-11H,2-3,12H2,1H3