4-[1-azanyl-4-[2-(3-hydroxyphenyl)ethylamino]-1-(3-methylimidazol-4-yl)butyl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[1-azanyl-4-[2-(3-hydroxyphenyl)ethylamino]-1-(3-methylimidazol-4-yl)butyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[1-amino-4-[2-(3-hydroxyphenyl)ethylamino]-1-(3-methylimidazol-4-yl)butyl]-2-fluoro-benzonitrile CAS Name: 4-[1-amino-4-[2-(3-hydroxyphenyl)ethylamino]-1-(3-methyl-4-imidazolyl)butyl]-2-fluorobenzonitrile IUPAC Name: 4-[1-amino-4-[2-(3-hydroxyphenyl)ethylamino]-1-(3-methylimidazol-4-yl)butyl]-2-fluorobenzonitrile Traditional Name: 4-[1-amino-4-[2-(3-hydroxyphenyl)ethylamino]-1-(3-methylimidazol-4-yl)butyl]-2-fluoro-benzonitrile Formula: C23H26FN5O MolecularWeight: 407.483843

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(CCCNCCC2=CC(=CC=C2)O)(C3=CC(=C(C=C3)C#N)F)N

Isomeric SMILES

CN1C=NC=C1C(CCCNCCC2=CC(=CC=C2)O)(C3=CC(=C(C=C3)C#N)F)N

InChI

InChI=1S/C23H26FN5O/c1-29-16-28-15-22(29)23(26,19-7-6-18(14-25)21(24)13-19)9-3-10-27-11-8-17-4-2-5-20(30)12-17/h2,4-7,12-13,15-16,27,30H,3,8-11,26H2,1H3