N2-[4-(diethylamino)butyl]-N4,N4-dipentyl-N1,N1-diphenyl-piperazine-1,2,4-tricarboxamide

Systemtic Name: N2-[4-(diethylamino)butyl]-N4,N4-dipentyl-N1,N1-diphenyl-piperazine-1,2,4-tricarboxamide Openeye Name: N2-[4-(diethylamino)butyl]-N4,N4-dipentyl-N1,N1-diphenyl-piperazine-1,2,4-tricarboxamide CAS Name: N2-[4-(diethylamino)butyl]-N4,N4-dipentyl-N1,N1-diphenylpiperazine-1,2,4-tricarboxamide IUPAC Name: 2-N-[4-(diethylamino)butyl]-4-N,4-N-dipentyl-1-N,1-N-diphenylpiperazine-1,2,4-tricarboxamide Traditional Name: N4,N4-diamyl-N2-[4-(diethylamino)butyl]-N1,N1-diphenyl-piperazine-1,2,4-tricarboxamide Formula: C37H58N6O3 MolecularWeight: 634.89482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H58N6O3/c1-5-9-18-27-40(28-19-10-6-2)36(45)41-29-30-42(34(31-41)35(44)38-25-17-20-26-39(7-3)8-4)37(46)43(32-21-13-11-14-22-32)33-23-15-12-16-24-33/h11-16,21-24,34H,5-10,17-20,25-31H2,1-4H3,(H,38,44)