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

Systemtic Name: 1-(4-ethylphenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-ethylphenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-ethylphenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-ethylphenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-ethylphenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H23N3 MolecularWeight: 317.42742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3/c1-2-16-11-13-18(14-12-16)24-21-19(10-6-7-15-22-21)20(23-24)17-8-4-3-5-9-17/h3-5,8-9,11-14,23H,2,6-7,10,15H2,1H3