5-(dodecanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 5-(dodecanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 5-(dodecanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-pyridylmethyl)benzamide CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-5-(1-oxododecylamino)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 5-(dodecanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-(lauroylamino)-2-[4-(2-methoxyphenyl)piperazino]-N-(3-pyridylmethyl)benzamide Formula: C36H49N5O3 MolecularWeight: 599.80596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C36H49N5O3/c1-3-4-5-6-7-8-9-10-11-18-35(42)39-30-19-20-32(31(26-30)36(43)38-28-29-15-14-21-37-27-29)40-22-24-41(25-23-40)33-16-12-13-17-34(33)44-2/h12-17,19-21,26-27H,3-11,18,22-25,28H2,1-2H3,(H,38,43)(H,39,42)