1-(2-ethylphenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 1-(2-ethylphenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2-ethylphenyl)-3-(1-ethylpropyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-ethylphenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-ethylphenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2-ethylphenyl)-3-(1-ethylpropyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H29N3 MolecularWeight: 311.46436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C3=NCCCCC3=C(N2)C(CC)CC

Isomeric SMILES

CCC1=CC=CC=C1N2C3=NCCCCC3=C(N2)C(CC)CC

InChI

InChI=1S/C20H29N3/c1-4-15(5-2)19-17-12-9-10-14-21-20(17)23(22-19)18-13-8-7-11-16(18)6-3/h7-8,11,13,15,22H,4-6,9-10,12,14H2,1-3H3