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

Systemtic Name: (1R,3R,8aR)-3-(phenylcarbonyl)-5-pyridin-2-yl-1,2,3,8a-tetrahydroindolizine-1-carbonitrile Openeye Name: (1R,3R,8aR)-3-benzoyl-5-(2-pyridyl)-1,2,3,8a-tetrahydroindolizine-1-carbonitrile CAS Name: (1R,3R,8aR)-3-benzoyl-5-(2-pyridinyl)-1,2,3,8a-tetrahydroindolizine-1-carbonitrile IUPAC Name: (1R,3R,8aR)-3-benzoyl-5-pyridin-2-yl-1,2,3,8a-tetrahydroindolizine-1-carbonitrile Traditional Name: (1R,3R,8aR)-3-benzoyl-5-(2-pyridyl)-1,2,3,8a-tetrahydroindolizine-1-carbonitrile Formula: C21H17N3O MolecularWeight: 327.37918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O/c22-14-16-13-20(21(25)15-7-2-1-3-8-15)24-18(16)10-6-11-19(24)17-9-4-5-12-23-17/h1-12,16,18,20H,13H2/t16-,18+,20+/m0/s1