N-[(E)-(3-fluorophenyl)methylideneamino]-3,3-dimethyl-4H-isoquinolin-1-amine hydrochloride

Systemtic Name: N-[(E)-(3-fluorophenyl)methylideneamino]-3,3-dimethyl-4H-isoquinolin-1-amine hydrochloride Openeye Name: N-[(E)-(3-fluorophenyl)methyleneamino]-3,3-dimethyl-4H-isoquinolin-1-amine hydrochloride CAS Name: N-[(E)-(3-fluorophenyl)methylideneamino]-3,3-dimethyl-4H-isoquinolin-1-amine hydrochloride IUPAC Name: N-[(E)-(3-fluorophenyl)methylideneamino]-3,3-dimethyl-4H-isoquinolin-1-amine hydrochloride Traditional Name: (3,3-dimethyl-4H-isoquinolin-1-yl)-[(E)-(3-fluorobenzylidene)amino]amine hydrochloride Formula: C18H19ClFN3 MolecularWeight: 331.814963

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)NN=CC3=CC(=CC=C3)F)C.Cl

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)N/N=C/C3=CC(=CC=C3)F)C.Cl

InChI

InChI=1S/C18H18FN3.ClH/c1-18(2)11-14-7-3-4-9-16(14)17(21-18)22-20-12-13-6-5-8-15(19)10-13;/h3-10,12H,11H2,1-2H3,(H,21,22);1H/b20-12+;