4-[(7-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)amino]benzenecarbonitrile hydrate hydrochloride

Systemtic Name: 4-[(7-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)amino]benzenecarbonitrile hydrate hydrochloride Openeye Name: 4-[(7-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)amino]benzonitrile hydrate hydrochloride CAS Name: 4-[(7-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)amino]benzonitrile hydrate hydrochloride IUPAC Name: 4-[(7-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)amino]benzonitrile hydrate hydrochloride Traditional Name: 4-[(7-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)amino]benzonitrile hydrate hydrochloride Formula: C23H18ClN5O MolecularWeight: 415.87492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C(=C2)NC4=CC=C(C=C4)C#N)C5=C(C=C3)NC=N5.O.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C(=C2)NC4=CC=C(C=C4)C#N)C5=C(C=C3)NC=N5.O.Cl

InChI

InChI=1S/C23H15N5.ClH.H2O/c24-13-15-6-8-17(9-7-15)27-21-12-20(16-4-2-1-3-5-16)28-18-10-11-19-23(22(18)21)26-14-25-19;;/h1-12,14H,(H,25,26)(H,27,28);1H;1H2