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

Systemtic Name: 3-(4-phenylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboximidamide Openeye Name: 3-(4-phenylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboxamidine CAS Name: 3-(4-phenylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboximidamide IUPAC Name: 3-(4-phenylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboximidamide Traditional Name: 3-(4-phenylphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carboxamidine Formula: C20H21N5 MolecularWeight: 331.41424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C(=N)N)C3=CC=C(C=C3)C4=CC=CC=C4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C(=N)N)C3=CC=C(C=C3)C4=CC=CC=C4)C1

InChI

InChI=1S/C20H21N5/c21-20(22)25-19-17(8-4-5-13-23-19)18(24-25)16-11-9-15(10-12-16)14-6-2-1-3-7-14/h1-3,6-7,9-12,24H,4-5,8,13H2,(H3,21,22)