6-(4-fluorophenyl)-2-(1-methylpyrrol-2-yl)-6-oxidanylidene-4-piperidin-1-yl-2-propan-2-yl-hexanenitrile

Systemtic Name: 6-(4-fluorophenyl)-2-(1-methylpyrrol-2-yl)-6-oxidanylidene-4-piperidin-1-yl-2-propan-2-yl-hexanenitrile Openeye Name: 6-(4-fluorophenyl)-2-isopropyl-2-(1-methylpyrrol-2-yl)-6-oxo-4-(1-piperidyl)hexanenitrile CAS Name: 6-(4-fluorophenyl)-2-(1-methyl-2-pyrrolyl)-6-oxo-4-(1-piperidinyl)-2-propan-2-ylhexanenitrile IUPAC Name: 6-(4-fluorophenyl)-2-(1-methylpyrrol-2-yl)-6-oxo-4-piperidin-1-yl-2-propan-2-ylhexanenitrile Traditional Name: 6-(4-fluorophenyl)-2-isopropyl-6-keto-2-(1-methylpyrrol-2-yl)-4-piperidino-hexanenitrile Formula: C25H32FN3O MolecularWeight: 409.539483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(CC(=O)C1=CC=C(C=C1)F)N2CCCCC2)(C#N)C3=CC=CN3C

Isomeric SMILES

CC(C)C(CC(CC(=O)C1=CC=C(C=C1)F)N2CCCCC2)(C#N)C3=CC=CN3C

InChI

InChI=1S/C25H32FN3O/c1-19(2)25(18-27,24-8-7-13-28(24)3)17-22(29-14-5-4-6-15-29)16-23(30)20-9-11-21(26)12-10-20/h7-13,19,22H,4-6,14-17H2,1-3H3