3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)chromen-2-imine

Systemtic Name: 3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)chromen-2-imine Openeye Name: 3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)chromen-2-imine CAS Name: 3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-benzopyran-2-imine IUPAC Name: 3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)chromen-2-imine Traditional Name: [3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)chromen-2-ylidene]amine Formula: C16H16N4O MolecularWeight: 280.32444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=CC4=CC=CC=C4OC3=N

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=CC4=CC=CC=C4OC3=N

InChI

InChI=1S/C16H16N4O/c17-15-12(10-11-6-3-4-7-13(11)21-15)16-19-18-14-8-2-1-5-9-20(14)16/h3-4,6-7,10,17H,1-2,5,8-9H2