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

Systemtic Name: (1R,3R,8aR)-3-(4-methoxyphenyl)carbonyl-5-pyridin-2-yl-1,2,3,8a-tetrahydroindolizine-1-carbonitrile Openeye Name: (1R,3R,8aR)-3-(4-methoxybenzoyl)-5-(2-pyridyl)-1,2,3,8a-tetrahydroindolizine-1-carbonitrile CAS Name: (1R,3R,8aR)-3-[(4-methoxyphenyl)-oxomethyl]-5-(2-pyridinyl)-1,2,3,8a-tetrahydroindolizine-1-carbonitrile IUPAC Name: (1R,3R,8aR)-3-(4-methoxybenzoyl)-5-pyridin-2-yl-1,2,3,8a-tetrahydroindolizine-1-carbonitrile Traditional Name: (1R,3R,8aR)-3-p-anisoyl-5-(2-pyridyl)-1,2,3,8a-tetrahydroindolizine-1-carbonitrile Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CC(C3N2C(=CC=C3)C4=CC=CC=N4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)[C@H]2C[C@H]([C@@H]3N2C(=CC=C3)C4=CC=CC=N4)C#N

InChI

InChI=1S/C22H19N3O2/c1-27-17-10-8-15(9-11-17)22(26)21-13-16(14-23)19-6-4-7-20(25(19)21)18-5-2-3-12-24-18/h2-12,16,19,21H,13H2,1H3/t16-,19+,21+/m0/s1