2-[5-chloranyl-2-[(E)-3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenyl]-1-cyano-guanidine

Systemtic Name: 2-[5-chloranyl-2-[(E)-3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenyl]-1-cyano-guanidine Openeye Name: 2-[5-chloro-2-[(E)-3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-3-oxo-prop-1-enyl]phenyl]-1-cyano-guanidine CAS Name: 2-[5-chloro-2-[(E)-3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]-3-oxoprop-1-enyl]phenyl]-1-cyanoguanidine IUPAC Name: 2-[5-chloro-2-[(E)-3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]phenyl]-1-cyanoguanidine Traditional Name: 2-[5-chloro-2-[(E)-3-[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]-3-keto-prop-1-enyl]phenyl]-1-cyano-guanidine Formula: C24H26ClFN6O MolecularWeight: 468.954243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)C=CC2=C(C=C(C=C2)Cl)N=C(N)NC#N)C)CC3=CC=C(C=C3)F

Isomeric SMILES

C[C@@H]1CN([C@H](CN1C(=O)/C=C/C2=C(C=C(C=C2)Cl)N=C(N)NC#N)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C24H26ClFN6O/c1-16-13-32(17(2)12-31(16)14-18-3-8-21(26)9-4-18)23(33)10-6-19-5-7-20(25)11-22(19)30-24(28)29-15-27/h3-11,16-17H,12-14H2,1-2H3,(H3,28,29,30)/b10-6+/t16-,17+/m0/s1