(4S)-4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile

Systemtic Name: (4S)-4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile Openeye Name: (4S)-4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile CAS Name: (4S)-4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile IUPAC Name: (4S)-4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile Traditional Name: (4S)-4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C#N)C2=CC3=C(C=C2)OCO3)C#N)C

Isomeric SMILES

CC1=NC(=C([C@@H](C1C#N)C2=CC3=C(C=C2)OCO3)C#N)C

InChI

InChI=1S/C16H13N3O2/c1-9-12(6-17)16(13(7-18)10(2)19-9)11-3-4-14-15(5-11)21-8-20-14/h3-5,12,16H,8H2,1-2H3/t12?,16-/m1/s1