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

Systemtic Name: 7-(azepan-1-yl)-3-(2-methoxyphenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(azepan-1-yl)-3-(2-methoxyphenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-(1-azepanyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(azepan-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(azepan-1-yl)-3-(2-methoxyphenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)N3CCCCCC3)C)C4=CC=CC=C4OC

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)N3CCCCCC3)C)C4=CC=CC=C4OC

InChI

InChI=1S/C21H26N4O/c1-15-14-19(24-12-8-4-5-9-13-24)25-21(22-15)20(16(2)23-25)17-10-6-7-11-18(17)26-3/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3