N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-4-hexyl-benzamide

Systemtic Name: N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-4-hexyl-benzamide Openeye Name: N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-4-hexyl-benzamide CAS Name: N-[4-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]phenyl]-4-hexylbenzamide IUPAC Name: N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-4-hexylbenzamide Traditional Name: N-[4-[4-(2-ethylbutanoyl)piperazino]phenyl]-4-hexyl-benzamide Formula: C29H41N3O2 MolecularWeight: 463.65474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C(CC)CC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C(CC)CC

InChI

InChI=1S/C29H41N3O2/c1-4-7-8-9-10-23-11-13-25(14-12-23)28(33)30-26-15-17-27(18-16-26)31-19-21-32(22-20-31)29(34)24(5-2)6-3/h11-18,24H,4-10,19-22H2,1-3H3,(H,30,33)