2-[[3-[(4-fluorophenyl)methylamino]-4-phenylmethoxy-butyl]amino]-2-(methylaminomethyl)propanedinitrile

Systemtic Name: 2-[[3-[(4-fluorophenyl)methylamino]-4-phenylmethoxy-butyl]amino]-2-(methylaminomethyl)propanedinitrile Openeye Name: 2-[[4-benzyloxy-3-[(4-fluorophenyl)methylamino]butyl]amino]-2-(methylaminomethyl)propanedinitrile CAS Name: 2-[[3-[(4-fluorophenyl)methylamino]-4-phenylmethoxybutyl]amino]-2-(methylaminomethyl)propanedinitrile IUPAC Name: 2-[[3-[(4-fluorophenyl)methylamino]-4-phenylmethoxybutyl]amino]-2-(methylaminomethyl)propanedinitrile Traditional Name: 2-[[4-benzoxy-3-[(4-fluorobenzyl)amino]butyl]amino]-2-(methylaminomethyl)malononitrile Formula: C23H28FN5O MolecularWeight: 409.499723

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(C#N)(C#N)NCCC(COCC1=CC=CC=C1)NCC2=CC=C(C=C2)F

Isomeric SMILES

CNCC(C#N)(C#N)NCCC(COCC1=CC=CC=C1)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C23H28FN5O/c1-27-18-23(16-25,17-26)29-12-11-22(15-30-14-20-5-3-2-4-6-20)28-13-19-7-9-21(24)10-8-19/h2-10,22,27-29H,11-15,18H2,1H3