N-ethyl-6-(4-fluoranylphenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-ethyl-6-(4-fluoranylphenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide Openeye Name: N-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide CAS Name: N-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methyl-1-piperazinyl]methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide Traditional Name: N-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazino]methyl]phenyl]nicotinamide Formula: C26H29FN4O2 MolecularWeight: 448.532463

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)CN2CCNC(C2)C)C(=O)C3=CN=C(C=C3)OC4=CC=C(C=C4)F

Isomeric SMILES

CCN(C1=CC=C(C=C1)CN2CCN[C@H](C2)C)C(=O)C3=CN=C(C=C3)OC4=CC=C(C=C4)F

InChI

InChI=1S/C26H29FN4O2/c1-3-31(23-9-4-20(5-10-23)18-30-15-14-28-19(2)17-30)26(32)21-6-13-25(29-16-21)33-24-11-7-22(27)8-12-24/h4-13,16,19,28H,3,14-15,17-18H2,1-2H3/t19-/m0/s1