[4-[(E)-2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethenyl]phenyl] 3-oxidanylidenebenzo[f]chromene-2-carboxylate

Systemtic Name: [4-[(E)-2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethenyl]phenyl] 3-oxidanylidenebenzo[f]chromene-2-carboxylate Openeye Name: [4-[(E)-2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)vinyl]phenyl] 3-oxobenzo[f]chromene-2-carboxylate CAS Name: 3-oxo-2-benzo[f][1]benzopyrancarboxylic acid [4-[(E)-2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethenyl]phenyl] 3-oxobenzo[f]chromene-2-carboxylate Traditional Name: 3-ketobenzo[f]chromene-2-carboxylic acid [4-[(E)-2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)vinyl]phenyl] ester Formula: C30H22N4O4 MolecularWeight: 502.52008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C(=CC3=CC=C(C=C3)OC(=O)C4=CC5=C(C=CC6=CC=CC=C65)OC4=O)C#N

Isomeric SMILES

C1CCC2=NN=C(N2CC1)/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC5=C(C=CC6=CC=CC=C65)OC4=O)/C#N

InChI

InChI=1S/C30H22N4O4/c31-18-21(28-33-32-27-8-2-1-5-15-34(27)28)16-19-9-12-22(13-10-19)37-29(35)25-17-24-23-7-4-3-6-20(23)11-14-26(24)38-30(25)36/h3-4,6-7,9-14,16-17H,1-2,5,8,15H2/b21-16+