N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide Openeye Name: N,N-diethyl-4-[8-quinolyl-[4-(2-thienylmethyl)piperazin-1-yl]methyl]benzamide CAS Name: N,N-diethyl-4-[8-quinolinyl-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide Traditional Name: N,N-diethyl-4-[8-quinolyl-[4-(2-thenyl)piperazino]methyl]benzamide Formula: C30H34N4OS MolecularWeight: 498.68216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC3=C2N=CC=C3)N4CCN(CC4)CC5=CC=CS5

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC3=C2N=CC=C3)N4CCN(CC4)CC5=CC=CS5

InChI

InChI=1S/C30H34N4OS/c1-3-33(4-2)30(35)25-14-12-24(13-15-25)29(27-11-5-8-23-9-6-16-31-28(23)27)34-19-17-32(18-20-34)22-26-10-7-21-36-26/h5-16,21,29H,3-4,17-20,22H2,1-2H3