7-(3,4-dimethoxyphenyl)-5-(phenylcarbonyl)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 7-(3,4-dimethoxyphenyl)-5-(phenylcarbonyl)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-benzoyl-7-(3,4-dimethoxyphenyl)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-benzoyl-7-(3,4-dimethoxyphenyl)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 5-benzoyl-7-(3,4-dimethoxyphenyl)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 5-benzoyl-7-(3,4-dimethoxyphenyl)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(NC3N2NC=C3C#N)C(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(NC3N2NC=C3C#N)C(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H22N4O3/c1-28-19-9-8-15(10-20(19)29-2)18-11-17(21(27)14-6-4-3-5-7-14)25-22-16(12-23)13-24-26(18)22/h3-10,13,17-18,22,24-25H,11H2,1-2H3