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

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(octanoylamino)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(octanoylamino)-N-(3-pyridylmethyl)benzamide CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-5-(1-oxooctylamino)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(octanoylamino)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-(caprylylamino)-2-[4-(2-methoxyphenyl)piperazino]-N-(3-pyridylmethyl)benzamide Formula: C32H41N5O3 MolecularWeight: 543.69964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H41N5O3/c1-3-4-5-6-7-14-31(38)35-26-15-16-28(27(22-26)32(39)34-24-25-11-10-17-33-23-25)36-18-20-37(21-19-36)29-12-8-9-13-30(29)40-2/h8-13,15-17,22-23H,3-7,14,18-21,24H2,1-2H3,(H,34,39)(H,35,38)