2-[4-[(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)amino]butylamino]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-[4-[(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)amino]butylamino]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[4-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]butylamino]cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-[(7-oxo-1-cyclohepta-1,3,5-trienyl)amino]butylamino]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[4-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]butylamino]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-[4-[(7-ketocyclohepta-1,3,5-trien-1-yl)amino]butylamino]cyclohepta-2,4,6-trien-1-one Formula: C18H20N2O2 MolecularWeight: 296.3636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=O)C=C1)NCCCCNC2=CC=CC=CC2=O

Isomeric SMILES

C1=CC=C(C(=O)C=C1)NCCCCNC2=CC=CC=CC2=O

InChI

InChI=1S/C18H20N2O2/c21-17-11-5-1-3-9-15(17)19-13-7-8-14-20-16-10-4-2-6-12-18(16)22/h1-6,9-12H,7-8,13-14H2,(H,19,21)(H,20,22)