2-azanyl-4-(5-bromanyl-2-phenylmethoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-bromanyl-2-phenylmethoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(2-benzyloxy-5-bromo-phenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-phenylmethoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(5-bromo-2-phenylmethoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(2-benzoxy-5-bromo-phenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C23H19BrN2O3 MolecularWeight: 451.31256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C(=O)C1

InChI

InChI=1S/C23H19BrN2O3/c24-15-9-10-19(28-13-14-5-2-1-3-6-14)16(11-15)21-17(12-25)23(26)29-20-8-4-7-18(27)22(20)21/h1-3,5-6,9-11,21H,4,7-8,13,26H2