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

Systemtic Name: 4-[(7-methyl-3H-imidazo[4,5-f]quinolin-9-yl)amino]benzenecarbonitrile hydrate hydrochloride Openeye Name: 4-[(7-methyl-3H-imidazo[4,5-f]quinolin-9-yl)amino]benzonitrile hydrate hydrochloride CAS Name: 4-[(7-methyl-3H-imidazo[4,5-f]quinolin-9-yl)amino]benzonitrile hydrate hydrochloride IUPAC Name: 4-[(7-methyl-3H-imidazo[4,5-f]quinolin-9-yl)amino]benzonitrile hydrate hydrochloride Traditional Name: 4-[(7-methyl-3H-imidazo[4,5-f]quinolin-9-yl)amino]benzonitrile hydrate hydrochloride Formula: C18H16ClN5O MolecularWeight: 353.80554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)NC3=CC=C(C=C3)C#N)C4=C(C=C2)NC=N4.O.Cl

Isomeric SMILES

CC1=NC2=C(C(=C1)NC3=CC=C(C=C3)C#N)C4=C(C=C2)NC=N4.O.Cl

InChI

InChI=1S/C18H13N5.ClH.H2O/c1-11-8-16(23-13-4-2-12(9-19)3-5-13)17-14(22-11)6-7-15-18(17)21-10-20-15;;/h2-8,10H,1H3,(H,20,21)(H,22,23);1H;1H2