N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-pentyl-benzamide

Systemtic Name: N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-pentyl-benzamide Openeye Name: N-[1-(1H-imidazol-2-ylmethyl)-4-piperidyl]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-pentyl-benzamide CAS Name: N-[1-(1H-imidazol-2-ylmethyl)-4-piperidinyl]-N-[[4-(4-methyl-1-piperazinyl)phenyl]methyl]-4-pentylbenzamide IUPAC Name: N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-pentylbenzamide Traditional Name: 4-amyl-N-[1-(1H-imidazol-2-ylmethyl)-4-piperidyl]-N-[4-(4-methylpiperazino)benzyl]benzamide Formula: C33H46N6O MolecularWeight: 542.75794

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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=NC=CN5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)N3CCN(CC3)C)C4CCN(CC4)CC5=NC=CN5

InChI

InChI=1S/C33H46N6O/c1-3-4-5-6-27-7-11-29(12-8-27)33(40)39(31-15-19-37(20-16-31)26-32-34-17-18-35-32)25-28-9-13-30(14-10-28)38-23-21-36(2)22-24-38/h7-14,17-18,31H,3-6,15-16,19-26H2,1-2H3,(H,34,35)