4-(4-methylphenyl)-1-oxidanylidene-N-(2-phenylbenzotriazol-5-yl)isochromene-3-carboxamide

Systemtic Name: 4-(4-methylphenyl)-1-oxidanylidene-N-(2-phenylbenzotriazol-5-yl)isochromene-3-carboxamide Openeye Name: 1-oxo-N-(2-phenylbenzotriazol-5-yl)-4-(p-tolyl)isochromene-3-carboxamide CAS Name: 4-(4-methylphenyl)-1-oxo-N-(2-phenyl-5-benzotriazolyl)-2-benzopyran-3-carboxamide IUPAC Name: 4-(4-methylphenyl)-1-oxo-N-(2-phenylbenzotriazol-5-yl)isochromene-3-carboxamide Traditional Name: 1-keto-N-(2-phenylbenzotriazol-5-yl)-4-(p-tolyl)isochromene-3-carboxamide Formula: C29H20N4O3 MolecularWeight: 472.4941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)NC4=CC5=NN(N=C5C=C4)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)NC4=CC5=NN(N=C5C=C4)C6=CC=CC=C6

InChI

InChI=1S/C29H20N4O3/c1-18-11-13-19(14-12-18)26-22-9-5-6-10-23(22)29(35)36-27(26)28(34)30-20-15-16-24-25(17-20)32-33(31-24)21-7-3-2-4-8-21/h2-17H,1H3,(H,30,34)