1-(2-azanylethyl)-2-[[5-chloranyl-2-[2-[4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-2-oxidanylidene-ethoxy]phenyl]methyl]-1-cyano-guanidine

Systemtic Name: 1-(2-azanylethyl)-2-[[5-chloranyl-2-[2-[4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-2-oxidanylidene-ethoxy]phenyl]methyl]-1-cyano-guanidine Openeye Name: 1-(2-aminoethyl)-2-[[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-2-oxo-ethoxy]phenyl]methyl]-1-cyano-guanidine CAS Name: 1-(2-aminoethyl)-2-[[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-2-oxoethoxy]phenyl]methyl]-1-cyanoguanidine IUPAC Name: 1-(2-aminoethyl)-2-[[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]methyl]-1-cyanoguanidine Traditional Name: 1-(2-aminoethyl)-2-[5-chloro-2-[2-[4-(4-fluorobenzyl)-2-methyl-piperazino]-2-keto-ethoxy]benzyl]-1-cyano-guanidine Formula: C25H31ClFN7O2 MolecularWeight: 516.010743

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)COC2=C(C=C(C=C2)Cl)CN=C(N)N(CCN)C#N)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1CN(CCN1C(=O)COC2=C(C=C(C=C2)Cl)CN=C(N)N(CCN)C#N)CC3=CC=C(C=C3)F

InChI

InChI=1S/C25H31ClFN7O2/c1-18-14-32(15-19-2-5-22(27)6-3-19)10-11-34(18)24(35)16-36-23-7-4-21(26)12-20(23)13-31-25(30)33(17-29)9-8-28/h2-7,12,18H,8-11,13-16,28H2,1H3,(H2,30,31)