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

Systemtic Name: 1-(4-methoxyphenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-methoxyphenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-methoxyphenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-methoxyphenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-methoxyphenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H21N3O MolecularWeight: 319.40024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O/c1-24-17-12-10-16(11-13-17)23-20-18(9-5-6-14-21-20)19(22-23)15-7-3-2-4-8-15/h2-4,7-8,10-13,22H,5-6,9,14H2,1H3