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

Systemtic Name: N-[3-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]propyl]-4-pyridazin-4-yl-benzamide Openeye Name: N-[3-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]propyl]-4-pyridazin-4-yl-benzamide CAS Name: N-[3-[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]propyl]-4-(4-pyridazinyl)benzamide IUPAC Name: N-[3-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]propyl]-4-pyridazin-4-ylbenzamide Traditional Name: N-[3-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]propyl]-4-pyridazin-4-yl-benzamide Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=NC=C2)C(=O)NCCCC3=CC(=C(N)N)C=CC3=O

Isomeric SMILES

C1=CC(=CC=C1C2=CN=NC=C2)C(=O)NCCCC3=CC(=C(N)N)C=CC3=O

InChI

InChI=1S/C21H21N5O2/c22-20(23)17-7-8-19(27)16(12-17)2-1-10-24-21(28)15-5-3-14(4-6-15)18-9-11-25-26-13-18/h3-9,11-13H,1-2,10,22-23H2,(H,24,28)