3-[1-[2-azanyl-3-(4-fluorophenyl)propanoyl]-3-oxidanylidene-4-phenethyl-piperazin-2-yl]propylcarbamic acid

Systemtic Name: 3-[1-[2-azanyl-3-(4-fluorophenyl)propanoyl]-3-oxidanylidene-4-phenethyl-piperazin-2-yl]propylcarbamic acid Openeye Name: 3-[1-[2-amino-3-(4-fluorophenyl)propanoyl]-3-oxo-4-phenethyl-piperazin-2-yl]propylcarbamic acid CAS Name: 3-[1-[2-amino-3-(4-fluorophenyl)-1-oxopropyl]-3-oxo-4-phenethyl-2-piperazinyl]propylcarbamic acid IUPAC Name: 3-[1-[2-amino-3-(4-fluorophenyl)propanoyl]-3-oxo-4-phenethylpiperazin-2-yl]propylcarbamic acid Traditional Name: 3-[1-[2-amino-3-(4-fluorophenyl)propanoyl]-3-keto-4-phenethyl-piperazin-2-yl]propylcarbamic acid Formula: C25H31FN4O4 MolecularWeight: 470.536443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1CCC2=CC=CC=C2)CCCNC(=O)O)C(=O)C(CC3=CC=C(C=C3)F)N

Isomeric SMILES

C1CN(C(C(=O)N1CCC2=CC=CC=C2)CCCNC(=O)O)C(=O)C(CC3=CC=C(C=C3)F)N

InChI

InChI=1S/C25H31FN4O4/c26-20-10-8-19(9-11-20)17-21(27)23(31)30-16-15-29(14-12-18-5-2-1-3-6-18)24(32)22(30)7-4-13-28-25(33)34/h1-3,5-6,8-11,21-22,28H,4,7,12-17,27H2,(H,33,34)