N-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-phenyl-prop-2-ynyl]-4-methoxy-aniline

Systemtic Name: N-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-phenyl-prop-2-ynyl]-4-methoxy-aniline Openeye Name: N-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-phenyl-prop-2-ynyl]-4-methoxy-aniline CAS Name: N-[1-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-3-phenylprop-2-ynyl]-4-methoxyaniline IUPAC Name: N-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-phenylprop-2-ynyl]-4-methoxyaniline Traditional Name: [1-[4-(4-fluorobenzyl)piperazino]-3-phenyl-prop-2-ynyl]-(4-methoxyphenyl)amine Formula: C27H28FN3O MolecularWeight: 429.529123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(C#CC2=CC=CC=C2)N3CCN(CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)NC(C#CC2=CC=CC=C2)N3CCN(CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C27H28FN3O/c1-32-26-14-12-25(13-15-26)29-27(16-9-22-5-3-2-4-6-22)31-19-17-30(18-20-31)21-23-7-10-24(28)11-8-23/h2-8,10-15,27,29H,17-21H2,1H3