2-[4-(4-chloranyl-3-fluoranyl-phenyl)-2-(3-cyclopentyloxy-4-methoxy-phenyl)but-3-ynyl]guanidine

Systemtic Name: 2-[4-(4-chloranyl-3-fluoranyl-phenyl)-2-(3-cyclopentyloxy-4-methoxy-phenyl)but-3-ynyl]guanidine Openeye Name: 2-[4-(4-chloro-3-fluoro-phenyl)-2-[3-(cyclopentoxy)-4-methoxy-phenyl]but-3-ynyl]guanidine CAS Name: 2-[4-(4-chloro-3-fluorophenyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)but-3-ynyl]guanidine IUPAC Name: 2-[4-(4-chloro-3-fluorophenyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)but-3-ynyl]guanidine Traditional Name: 2-[4-(4-chloro-3-fluoro-phenyl)-2-[3-(cyclopentoxy)-4-methoxy-phenyl]but-3-ynyl]guanidine Formula: C23H25ClFN3O2 MolecularWeight: 429.914903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CN=C(N)N)C#CC2=CC(=C(C=C2)Cl)F)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(CN=C(N)N)C#CC2=CC(=C(C=C2)Cl)F)OC3CCCC3

InChI

InChI=1S/C23H25ClFN3O2/c1-29-21-11-9-16(13-22(21)30-18-4-2-3-5-18)17(14-28-23(26)27)8-6-15-7-10-19(24)20(25)12-15/h7,9-13,17-18H,2-5,14H2,1H3,(H4,26,27,28)