5-(2-ethylhexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(phenylmethyl)benzamide

Systemtic Name: 5-(2-ethylhexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-5-(2-ethylhexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide CAS Name: 5-[(2-ethyl-1-oxohexyl)amino]-2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-5-(2-ethylhexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide Traditional Name: N-benzyl-5-(2-ethylhexanoylamino)-2-[4-(2-methoxyphenyl)piperazino]benzamide Formula: C33H42N4O3 MolecularWeight: 542.71158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H42N4O3/c1-4-6-14-26(5-2)32(38)35-27-17-18-29(28(23-27)33(39)34-24-25-12-8-7-9-13-25)36-19-21-37(22-20-36)30-15-10-11-16-31(30)40-3/h7-13,15-18,23,26H,4-6,14,19-22,24H2,1-3H3,(H,34,39)(H,35,38)