2-[4-[(4-cyclohexa-1,5-dien-1-yl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)methyl]phenyl]-2-methyl-propanamide

Systemtic Name: 2-[4-[(4-cyclohexa-1,5-dien-1-yl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)methyl]phenyl]-2-methyl-propanamide Openeye Name: 2-[4-[(4-cyclohexa-1,5-dien-1-yl-5-oxo-tetrazol-1-yl)methyl]phenyl]-2-methyl-propanamide CAS Name: 2-[4-[[4-(1-cyclohexa-1,5-dienyl)-5-oxo-1-tetrazolyl]methyl]phenyl]-2-methylpropanamide IUPAC Name: 2-[4-[(4-cyclohexa-1,5-dien-1-yl-5-oxotetrazol-1-yl)methyl]phenyl]-2-methylpropanamide Traditional Name: 2-[4-[(4-cyclohexa-1,5-dien-1-yl-5-keto-tetrazol-1-yl)methyl]phenyl]-2-methyl-propionamide Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)CN2C(=O)N(N=N2)C3=CCCC=C3)C(=O)N

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)CN2C(=O)N(N=N2)C3=CCCC=C3)C(=O)N

InChI

InChI=1S/C18H21N5O2/c1-18(2,16(19)24)14-10-8-13(9-11-14)12-22-17(25)23(21-20-22)15-6-4-3-5-7-15/h4,6-11H,3,5,12H2,1-2H3,(H2,19,24)