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

Systemtic Name: 1-(4-ethylphenyl)-3-(4-phenylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-ethylphenyl)-3-(4-phenylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-ethylphenyl)-3-(4-phenylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-ethylphenyl)-3-(4-phenylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-ethylphenyl)-3-(4-phenylphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C27H27N3 MolecularWeight: 393.52338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3/c1-2-20-11-17-24(18-12-20)30-27-25(10-6-7-19-28-27)26(29-30)23-15-13-22(14-16-23)21-8-4-3-5-9-21/h3-5,8-9,11-18,29H,2,6-7,10,19H2,1H3