[4-[5-(aminomethyl)-2-fluoranyl-phenyl]piperidin-1-yl]-(4-bromanyl-3-methyl-5-propoxy-thiophen-2-yl)methanone

Systemtic Name: [4-[5-(aminomethyl)-2-fluoranyl-phenyl]piperidin-1-yl]-(4-bromanyl-3-methyl-5-propoxy-thiophen-2-yl)methanone Openeye Name: [4-[5-(aminomethyl)-2-fluoro-phenyl]-1-piperidyl]-(4-bromo-3-methyl-5-propoxy-2-thienyl)methanone CAS Name: [4-[5-(aminomethyl)-2-fluorophenyl]-1-piperidinyl]-(4-bromo-3-methyl-5-propoxy-2-thiophenyl)methanone IUPAC Name: [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone Traditional Name: [4-[5-(aminomethyl)-2-fluoro-phenyl]piperidino]-(4-bromo-3-methyl-5-propoxy-2-thienyl)methanone Formula: C21H26BrFN2O2S MolecularWeight: 469.410743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=C(S1)C(=O)N2CCC(CC2)C3=C(C=CC(=C3)CN)F)C)Br

Isomeric SMILES

CCCOC1=C(C(=C(S1)C(=O)N2CCC(CC2)C3=C(C=CC(=C3)CN)F)C)Br

InChI

InChI=1S/C21H26BrFN2O2S/c1-3-10-27-21-18(22)13(2)19(28-21)20(26)25-8-6-15(7-9-25)16-11-14(12-24)4-5-17(16)23/h4-5,11,15H,3,6-10,12,24H2,1-2H3