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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N4O3/c1-6-10-13-23(7-2)29(35)31-24-16-17-26(25(22-24)30(36)32(8-3)9-4)33-18-20-34(21-19-33)27-14-11-12-15-28(27)37-5/h11-12,14-17,22-23H,6-10,13,18-21H2,1-5H3,(H,31,35)