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

Systemtic Name: 3-cyclohexyl-1-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-cyclohexyl-1-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-cyclohexyl-1-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-cyclohexyl-1-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-cyclohexyl-1-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H29N3 MolecularWeight: 323.47506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=NCCCCC3=C(N2)C4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=NCCCCC3=C(N2)C4CCCCC4)C

InChI

InChI=1S/C21H29N3/c1-15-11-12-19(16(2)14-15)24-21-18(10-6-7-13-22-21)20(23-24)17-8-4-3-5-9-17/h11-12,14,17,23H,3-10,13H2,1-2H3