N-[[3-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,2-oxazol-5-yl]methyl]-1,1-di(piperazin-1-yl)methanimine

Systemtic Name: N-[[3-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,2-oxazol-5-yl]methyl]-1,1-di(piperazin-1-yl)methanimine Openeye Name: N-[[3-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazol-5-yl]methyl]-1,1-di(piperazin-1-yl)methanimine CAS Name: N-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-5-isoxazolyl]methyl]-1,1-bis(1-piperazinyl)methanimine IUPAC Name: N-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]-1,1-di(piperazin-1-yl)methanimine Traditional Name: di(piperazino)methylene-[[3-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazol-5-yl]methyl]amine Formula: C27H33FN6O MolecularWeight: 476.588923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=NOC(=C3)CN=C(N4CCNCC4)N5CCNCC5

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=NOC(=C3)CN=C(N4CCNCC4)N5CCNCC5

InChI

InChI=1S/C27H33FN6O/c1-20(22-7-8-24(25(28)17-22)21-5-3-2-4-6-21)26-18-23(35-32-26)19-31-27(33-13-9-29-10-14-33)34-15-11-30-12-16-34/h2-8,17-18,20,29-30H,9-16,19H2,1H3