N-[1-[4-(2-ethylhexanoyl)-3-methyl-piperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]-4-methyl-benzamide

Systemtic Name: N-[1-[4-(2-ethylhexanoyl)-3-methyl-piperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]-4-methyl-benzamide Openeye Name: N-[1-[4-(2-ethylhexanoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-butyl]-4-methyl-benzamide CAS Name: N-[1-[4-(2-ethyl-1-oxohexyl)-3-methyl-1-piperazinyl]-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide IUPAC Name: N-[1-[4-(2-ethylhexanoyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide Traditional Name: N-[1-[4-(2-ethylhexanoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-butyl]-4-methyl-benzamide Formula: C27H43N3O3 MolecularWeight: 457.64862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCN(CC1C)C(=O)C(C(C)CC)NC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC(CC)C(=O)N1CCN(CC1C)C(=O)C(C(C)CC)NC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C27H43N3O3/c1-7-10-11-22(9-3)26(32)30-17-16-29(18-21(30)6)27(33)24(20(5)8-2)28-25(31)23-14-12-19(4)13-15-23/h12-15,20-22,24H,7-11,16-18H2,1-6H3,(H,28,31)