N-[3-[bis[(3E)-3-[[(5-methyl-1,2,3,4-tetrazol-1-yl)amino]methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]phenyl]-N-ethyl-ethanamide

Systemtic Name: N-[3-[bis[(3E)-3-[[(5-methyl-1,2,3,4-tetrazol-1-yl)amino]methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]phenyl]-N-ethyl-ethanamide Openeye Name: N-[3-[bis[(3E)-3-[[(5-methyltetrazol-1-yl)amino]methylene]-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]phenyl]-N-ethyl-acetamide CAS Name: N-[3-[bis[(3E)-3-[[(5-methyl-1-tetrazolyl)amino]methylidene]-6-oxo-1-cyclohexa-1,4-dienyl]methyl]phenyl]-N-ethylacetamide IUPAC Name: N-[3-[bis[(3E)-3-[[(5-methyltetrazol-1-yl)amino]methylidene]-6-oxocyclohexa-1,4-dien-1-yl]methyl]phenyl]-N-ethylacetamide Traditional Name: N-[3-[bis[(3E)-6-keto-3-[[(5-methyltetrazol-1-yl)amino]methylene]cyclohexa-1,4-dien-1-yl]methyl]phenyl]-N-ethyl-acetamide Formula: C29H29N11O3 MolecularWeight: 579.61246

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C(C2=CC(=CNN3C(=NN=N3)C)C=CC2=O)C4=CC(=CNN5C(=NN=N5)C)C=CC4=O)C(=O)C

Isomeric SMILES

CCN(C(=O)C)C1=CC=CC(=C1)C(C2=C/C(=C/NN3N=NN=C3C)/C=CC2=O)C4=C/C(=C/NN5N=NN=C5C)/C=CC4=O

InChI

InChI=1S/C29H29N11O3/c1-5-38(20(4)41)24-8-6-7-23(15-24)29(25-13-21(9-11-27(25)42)16-30-39-18(2)32-34-36-39)26-14-22(10-12-28(26)43)17-31-40-19(3)33-35-37-40/h6-17,29-31H,5H2,1-4H3/b21-16+,22-17+