N-[3-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]propyl]-4-tert-butyl-benzamide

Systemtic Name: N-[3-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]propyl]-4-tert-butyl-benzamide Openeye Name: 4-tert-butyl-N-[3-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]propyl]benzamide CAS Name: 4-tert-butyl-N-[3-[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]propyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]propyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]propyl]benzamide Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCC2=CC(=C(N)N)C=CC2=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCC2=CC(=C(N)N)C=CC2=O

InChI

InChI=1S/C21H27N3O2/c1-21(2,3)17-9-6-14(7-10-17)20(26)24-12-4-5-15-13-16(19(22)23)8-11-18(15)25/h6-11,13H,4-5,12,22-23H2,1-3H3,(H,24,26)