(1R,3R,8aR)-3-(4-bromophenyl)carbonyl-5-pyridin-2-yl-1,2,3,8a-tetrahydroindolizine-1-carbonitrile

Systemtic Name: (1R,3R,8aR)-3-(4-bromophenyl)carbonyl-5-pyridin-2-yl-1,2,3,8a-tetrahydroindolizine-1-carbonitrile Openeye Name: (1R,3R,8aR)-3-(4-bromobenzoyl)-5-(2-pyridyl)-1,2,3,8a-tetrahydroindolizine-1-carbonitrile CAS Name: (1R,3R,8aR)-3-[(4-bromophenyl)-oxomethyl]-5-(2-pyridinyl)-1,2,3,8a-tetrahydroindolizine-1-carbonitrile IUPAC Name: (1R,3R,8aR)-3-(4-bromobenzoyl)-5-pyridin-2-yl-1,2,3,8a-tetrahydroindolizine-1-carbonitrile Traditional Name: (1R,3R,8aR)-3-(4-bromobenzoyl)-5-(2-pyridyl)-1,2,3,8a-tetrahydroindolizine-1-carbonitrile Formula: C21H16BrN3O MolecularWeight: 406.27524

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2C=CC=C(N2C1C(=O)C3=CC=C(C=C3)Br)C4=CC=CC=N4)C#N

Isomeric SMILES

C1[C@H]([C@H]2C=CC=C(N2[C@H]1C(=O)C3=CC=C(C=C3)Br)C4=CC=CC=N4)C#N

InChI

InChI=1S/C21H16BrN3O/c22-16-9-7-14(8-10-16)21(26)20-12-15(13-23)18-5-3-6-19(25(18)20)17-4-1-2-11-24-17/h1-11,15,18,20H,12H2/t15-,18+,20+/m0/s1