N-(2-diethylaminoethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(octanoylamino)benzamide

Systemtic Name: N-(2-diethylaminoethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(octanoylamino)benzamide Openeye Name: N-(2-diethylaminoethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(octanoylamino)benzamide CAS Name: N-(2-diethylaminoethyl)-2-[4-(2-methoxyphenyl)-1-piperazinyl]-5-(1-oxooctylamino)benzamide IUPAC Name: N-(2-diethylaminoethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(octanoylamino)benzamide Traditional Name: 5-(caprylylamino)-N-(2-diethylaminoethyl)-2-[4-(2-methoxyphenyl)piperazino]benzamide Formula: C32H49N5O3 MolecularWeight: 551.76316

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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)NCCN(CC)CC

Isomeric SMILES

CCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)NCCN(CC)CC

InChI

InChI=1S/C32H49N5O3/c1-5-8-9-10-11-16-31(38)34-26-17-18-28(27(25-26)32(39)33-19-20-35(6-2)7-3)36-21-23-37(24-22-36)29-14-12-13-15-30(29)40-4/h12-15,17-18,25H,5-11,16,19-24H2,1-4H3,(H,33,39)(H,34,38)