N-[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]heptanamide

Systemtic Name: N-[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]heptanamide Openeye Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]heptanamide CAS Name: N-[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]heptanamide IUPAC Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]heptanamide Traditional Name: N-[3-chloro-2-(4-isobutyrylpiperazino)phenyl]enanthamide Formula: C21H32ClN3O2 MolecularWeight: 393.95068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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