N-(5-butanoyl-3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1-(phenylmethyl)-2,3-dihydro-1,2,3,4-tetrazole-5-carboxamide

Systemtic Name: N-(5-butanoyl-3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1-(phenylmethyl)-2,3-dihydro-1,2,3,4-tetrazole-5-carboxamide Openeye Name: 1-benzyl-N-(5-butanoyl-3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-2,3-dihydrotetrazole-5-carboxamide CAS Name: N-[3-methyl-6-oxo-5-(1-oxobutyl)-1-cyclohexa-2,4-dienylidene]-1-(phenylmethyl)-2,3-dihydrotetrazole-5-carboxamide IUPAC Name: 1-benzyl-N-(5-butanoyl-3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-2,3-dihydrotetrazole-5-carboxamide Traditional Name: 1-benzyl-N-(5-butyryl-6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)-2,3-dihydrotetrazole-5-carboxamide Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=CC(=NC(=O)C2=NNNN2CC3=CC=CC=C3)C1=O)C

Isomeric SMILES

CCCC(=O)C1=CC(=CC(=NC(=O)C2=NNNN2CC3=CC=CC=C3)C1=O)C

InChI

InChI=1S/C20H21N5O3/c1-3-7-17(26)15-10-13(2)11-16(18(15)27)21-20(28)19-22-23-24-25(19)12-14-8-5-4-6-9-14/h4-6,8-11,23-24H,3,7,12H2,1-2H3