N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(octanoylamino)benzamide

Systemtic Name: N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(octanoylamino)benzamide Openeye Name: N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(octanoylamino)benzamide CAS Name: N,N-diethyl-2-[4-(2-methoxyphenyl)-1-piperazinyl]-5-(1-oxooctylamino)benzamide IUPAC Name: N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(octanoylamino)benzamide Traditional Name: 5-(caprylylamino)-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazino]benzamide Formula: C30H44N4O3 MolecularWeight: 508.69536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)N(CC)CC

Isomeric SMILES

CCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)N(CC)CC

InChI

InChI=1S/C30H44N4O3/c1-5-8-9-10-11-16-29(35)31-24-17-18-26(25(23-24)30(36)32(6-2)7-3)33-19-21-34(22-20-33)27-14-12-13-15-28(27)37-4/h12-15,17-18,23H,5-11,16,19-22H2,1-4H3,(H,31,35)