1-ethyl-4-[3-(1-fluoranylpropyl)-4-isocyano-5-(2-methylphenyl)phenyl]piperazine

Systemtic Name: 1-ethyl-4-[3-(1-fluoranylpropyl)-4-isocyano-5-(2-methylphenyl)phenyl]piperazine Openeye Name: 1-ethyl-4-[3-(1-fluoropropyl)-4-isocyano-5-(o-tolyl)phenyl]piperazine CAS Name: 1-ethyl-4-[3-(1-fluoropropyl)-4-isocyano-5-(2-methylphenyl)phenyl]piperazine IUPAC Name: 1-ethyl-4-[3-(1-fluoropropyl)-4-isocyano-5-(2-methylphenyl)phenyl]piperazine Traditional Name: 1-ethyl-4-[3-(1-fluoropropyl)-4-isocyano-5-(o-tolyl)phenyl]piperazine Formula: C23H28FN3 MolecularWeight: 365.486923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=CC(=C1)N2CCN(CC2)CC)C3=CC=CC=C3C)[N+]#[C-])F

Isomeric SMILES

CCC(C1=C(C(=CC(=C1)N2CCN(CC2)CC)C3=CC=CC=C3C)[N+]#[C-])F

InChI

InChI=1S/C23H28FN3/c1-5-22(24)21-16-18(27-13-11-26(6-2)12-14-27)15-20(23(21)25-4)19-10-8-7-9-17(19)3/h7-10,15-16,22H,5-6,11-14H2,1-3H3