(4aR,7S)-3-(4-bromophenyl)-7-phenyl-4a,6,7,8-tetrahydro-2H-cinnolin-5-one

Systemtic Name: (4aR,7S)-3-(4-bromophenyl)-7-phenyl-4a,6,7,8-tetrahydro-2H-cinnolin-5-one Openeye Name: (4aR,7S)-3-(4-bromophenyl)-7-phenyl-4a,6,7,8-tetrahydro-2H-cinnolin-5-one CAS Name: (4aR,7S)-3-(4-bromophenyl)-7-phenyl-4a,6,7,8-tetrahydro-2H-cinnolin-5-one IUPAC Name: (4aR,7S)-3-(4-bromophenyl)-7-phenyl-4a,6,7,8-tetrahydro-2H-cinnolin-5-one Traditional Name: (4aR,7S)-3-(4-bromophenyl)-7-phenyl-4a,6,7,8-tetrahydro-2H-cinnolin-5-one Formula: C20H17BrN2O MolecularWeight: 381.26578

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2C1=NNC(=C2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](CC(=O)[C@H]2C1=NNC(=C2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H17BrN2O/c21-16-8-6-14(7-9-16)18-12-17-19(23-22-18)10-15(11-20(17)24)13-4-2-1-3-5-13/h1-9,12,15,17,22H,10-11H2/t15-,17+/m0/s1