7-(azepan-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 7-(azepan-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(azepan-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-(1-azepanyl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(azepan-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(azepan-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)N3CCCCCC3)C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)N3CCCCCC3)C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H28N4O2/c1-15-13-20(25-11-7-5-6-8-12-25)26-22(23-15)21(16(2)24-26)17-9-10-18(27-3)19(14-17)28-4/h9-10,13-14H,5-8,11-12H2,1-4H3