6-(1,4-diazepan-1-yl)-7-(4-fluoranylphenoxy)-2-phenyl-2-propan-2-yl-heptanenitrile

Systemtic Name: 6-(1,4-diazepan-1-yl)-7-(4-fluoranylphenoxy)-2-phenyl-2-propan-2-yl-heptanenitrile Openeye Name: 6-(1,4-diazepan-1-yl)-7-(4-fluorophenoxy)-2-isopropyl-2-phenyl-heptanenitrile CAS Name: 6-(1,4-diazepan-1-yl)-7-(4-fluorophenoxy)-2-phenyl-2-propan-2-ylheptanenitrile IUPAC Name: 6-(1,4-diazepan-1-yl)-7-(4-fluorophenoxy)-2-phenyl-2-propan-2-ylheptanenitrile Traditional Name: 6-(1,4-diazepan-1-yl)-7-(4-fluorophenoxy)-2-isopropyl-2-phenyl-enanthonitrile Formula: C27H36FN3O MolecularWeight: 437.592643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=C(C=C1)F)N2CCCNCC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=C(C=C1)F)N2CCCNCC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H36FN3O/c1-22(2)27(21-29,23-8-4-3-5-9-23)15-6-10-25(31-18-7-16-30-17-19-31)20-32-26-13-11-24(28)12-14-26/h3-5,8-9,11-14,22,25,30H,6-7,10,15-20H2,1-2H3