3-cyclopentyl-1-(2-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-cyclopentyl-1-(2-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-cyclopentyl-1-(2-isopropylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-cyclopentyl-1-(2-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-cyclopentyl-1-(2-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-cyclopentyl-1-o-cumenyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H29N3 MolecularWeight: 323.47506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4CCCC4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4CCCC4

InChI

InChI=1S/C21H29N3/c1-15(2)17-11-5-6-13-19(17)24-21-18(12-7-8-14-22-21)20(23-24)16-9-3-4-10-16/h5-6,11,13,15-16,23H,3-4,7-10,12,14H2,1-2H3