4-[[[2-(prop-2-ynylamino)phenyl]amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[[2-(prop-2-ynylamino)phenyl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[2-(prop-2-ynylamino)anilino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[2-(prop-2-ynylamino)anilino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[2-(prop-2-ynylamino)anilino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[2-(propargylamino)anilino]methylene]cyclohexa-2,5-dien-1-one Formula: C16H14N2O MolecularWeight: 250.29516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=CC=CC=C1NC=C2C=CC(=O)C=C2

Isomeric SMILES

C#CCNC1=CC=CC=C1NC=C2C=CC(=O)C=C2

InChI

InChI=1S/C16H14N2O/c1-2-11-17-15-5-3-4-6-16(15)18-12-13-7-9-14(19)10-8-13/h1,3-10,12,17-18H,11H2