(4S,7R)-2-azanyl-4-(2-bromophenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: (4S,7R)-2-azanyl-4-(2-bromophenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4S,7R)-2-amino-4-(2-bromophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4S,7R)-2-amino-4-(2-bromophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4S,7R)-2-amino-4-(2-bromophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4S,7R)-2-amino-4-(2-bromophenyl)-5-keto-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C22H17BrN2O2 MolecularWeight: 421.28658

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=C1OC(=C(C2C3=CC=CC=C3Br)C#N)N)C4=CC=CC=C4

Isomeric SMILES

C1[C@H](CC(=O)C2=C1OC(=C([C@@H]2C3=CC=CC=C3Br)C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C22H17BrN2O2/c23-17-9-5-4-8-15(17)20-16(12-24)22(25)27-19-11-14(10-18(26)21(19)20)13-6-2-1-3-7-13/h1-9,14,20H,10-11,25H2/t14-,20-/m0/s1