(2S)-N2-(2-azanylethyl)-N4,N4-dipentyl-N1,N1-diphenyl-piperazine-1,2,4-tricarboxamide

Systemtic Name: (2S)-N2-(2-azanylethyl)-N4,N4-dipentyl-N1,N1-diphenyl-piperazine-1,2,4-tricarboxamide Openeye Name: (2S)-N2-(2-aminoethyl)-N4,N4-dipentyl-N1,N1-diphenyl-piperazine-1,2,4-tricarboxamide CAS Name: (2S)-N2-(2-aminoethyl)-N4,N4-dipentyl-N1,N1-diphenylpiperazine-1,2,4-tricarboxamide IUPAC Name: (2S)-2-N-(2-aminoethyl)-4-N,4-N-dipentyl-1-N,1-N-diphenylpiperazine-1,2,4-tricarboxamide Traditional Name: (2S)-N2-(2-aminoethyl)-N4,N4-diamyl-N1,N1-diphenyl-piperazine-1,2,4-tricarboxamide Formula: C31H46N6O3 MolecularWeight: 550.73534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)N1CCN(C(C1)C(=O)NCCN)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)NCCN)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C31H46N6O3/c1-3-5-13-21-34(22-14-6-4-2)30(39)35-23-24-36(28(25-35)29(38)33-20-19-32)31(40)37(26-15-9-7-10-16-26)27-17-11-8-12-18-27/h7-12,15-18,28H,3-6,13-14,19-25,32H2,1-2H3,(H,33,38)/t28-/m0/s1