N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-pentyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide

Systemtic Name: N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-pentyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide Openeye Name: N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-pentyl-N-[1-(3-pyridylmethyl)-4-piperidyl]benzamide CAS Name: N-[[4-(4-methyl-1-piperazinyl)phenyl]methyl]-4-pentyl-N-[1-(3-pyridinylmethyl)-4-piperidinyl]benzamide IUPAC Name: N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-pentyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide Traditional Name: 4-amyl-N-[4-(4-methylpiperazino)benzyl]-N-[1-(3-pyridylmethyl)-4-piperidyl]benzamide Formula: C35H47N5O MolecularWeight: 553.78058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)N3CCN(CC3)C)C4CCN(CC4)CC5=CN=CC=C5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)N3CCN(CC3)C)C4CCN(CC4)CC5=CN=CC=C5

InChI

InChI=1S/C35H47N5O/c1-3-4-5-7-29-9-13-32(14-10-29)35(41)40(34-17-20-38(21-18-34)27-31-8-6-19-36-26-31)28-30-11-15-33(16-12-30)39-24-22-37(2)23-25-39/h6,8-16,19,26,34H,3-5,7,17-18,20-25,27-28H2,1-2H3