7-(2,4-dimethylphenyl)-5-(5-nitrofuran-2-yl)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 7-(2,4-dimethylphenyl)-5-(5-nitrofuran-2-yl)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 7-(2,4-dimethylphenyl)-5-(5-nitro-2-furyl)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 7-(2,4-dimethylphenyl)-5-(5-nitro-2-furanyl)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 7-(2,4-dimethylphenyl)-5-(5-nitrofuran-2-yl)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 7-(2,4-dimethylphenyl)-5-(5-nitro-2-furyl)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C19H19N5O3 MolecularWeight: 365.38586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2CC(NC3N2NC=C3C#N)C4=CC=C(O4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C2CC(NC3N2NC=C3C#N)C4=CC=C(O4)[N+](=O)[O-])C

InChI

InChI=1S/C19H19N5O3/c1-11-3-4-14(12(2)7-11)16-8-15(17-5-6-18(27-17)24(25)26)22-19-13(9-20)10-21-23(16)19/h3-7,10,15-16,19,21-22H,8H2,1-2H3