3-(1-adamantyl)-1-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-(1-adamantyl)-1-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(1-adamantyl)-1-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(1-adamantyl)-1-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(1-adamantyl)-1-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(1-adamantyl)-1-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C25H33N3 MolecularWeight: 375.54962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C3=NCCCCC3=C(N2)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C3=NCCCCC3=C(N2)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H33N3/c1-16-6-7-17(2)22(9-16)28-24-21(5-3-4-8-26-24)23(27-28)25-13-18-10-19(14-25)12-20(11-18)15-25/h6-7,9,18-20,27H,3-5,8,10-15H2,1-2H3