N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]hexanamide

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]hexanamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]hexanamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]hexanamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]hexanamide Traditional Name: N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]hexanamide Formula: C21H32ClN3O2 MolecularWeight: 393.95068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC(C)C)Cl

Isomeric SMILES

CCCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC(C)C)Cl

InChI

InChI=1S/C21H32ClN3O2/c1-4-5-6-7-20(26)23-17-8-9-19(18(22)15-17)24-10-12-25(13-11-24)21(27)14-16(2)3/h8-9,15-16H,4-7,10-14H2,1-3H3,(H,23,26)