1,3-bis(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydro-2H-isoindole hydrochloride

Systemtic Name: 1,3-bis(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydro-2H-isoindole hydrochloride Openeye Name: 1,3-bis(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydro-2H-isoindole hydrochloride CAS Name: 1,3-bis[4-(1-imidazolyl)phenyl]-4,5,6,7-tetrahydro-2H-isoindole hydrochloride IUPAC Name: 1,3-bis(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydro-2H-isoindole hydrochloride Traditional Name: 1,3-bis(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydro-2H-isoindole hydrochloride Formula: C26H24ClN5 MolecularWeight: 441.95526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(NC(=C2C1)C3=CC=C(C=C3)N4C=CN=C4)C5=CC=C(C=C5)N6C=CN=C6.Cl

Isomeric SMILES

C1CCC2=C(NC(=C2C1)C3=CC=C(C=C3)N4C=CN=C4)C5=CC=C(C=C5)N6C=CN=C6.Cl

InChI

InChI=1S/C26H23N5.ClH/c1-2-4-24-23(3-1)25(19-5-9-21(10-6-19)30-15-13-27-17-30)29-26(24)20-7-11-22(12-8-20)31-16-14-28-18-31;/h5-18,29H,1-4H2;1H