2-[(3-butoxy-2-oxidanyl-propyl)-(3-imidazol-1-ylpropyl)amino]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[(3-butoxy-2-oxidanyl-propyl)-(3-imidazol-1-ylpropyl)amino]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[(3-butoxy-2-hydroxy-propyl)-(3-imidazol-1-ylpropyl)amino]-6-fluoro-benzonitrile CAS Name: 2-[(3-butoxy-2-hydroxypropyl)-[3-(1-imidazolyl)propyl]amino]-6-fluorobenzonitrile IUPAC Name: 2-[(3-butoxy-2-hydroxypropyl)-(3-imidazol-1-ylpropyl)amino]-6-fluorobenzonitrile Traditional Name: 2-[(3-butoxy-2-hydroxy-propyl)-(3-imidazol-1-ylpropyl)amino]-6-fluoro-benzonitrile Formula: C20H27FN4O2 MolecularWeight: 374.452383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(CN(CCCN1C=CN=C1)C2=C(C(=CC=C2)F)C#N)O

Isomeric SMILES

CCCCOCC(CN(CCCN1C=CN=C1)C2=C(C(=CC=C2)F)C#N)O

InChI

InChI=1S/C20H27FN4O2/c1-2-3-12-27-15-17(26)14-25(10-5-9-24-11-8-23-16-24)20-7-4-6-19(21)18(20)13-22/h4,6-8,11,16-17,26H,2-3,5,9-10,12,14-15H2,1H3