N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-3-chloranyl-4-methyl-benzamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-3-chloranyl-4-methyl-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-3-chloro-4-methyl-benzamide CAS Name: 3-chloro-N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-4-methylbenzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-3-chloro-4-methylbenzamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-3-chloro-4-methyl-benzamide Formula: C22H25Cl2N3O2 MolecularWeight: 434.3588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)Cl)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)Cl)Cl

InChI

InChI=1S/C22H25Cl2N3O2/c1-3-4-21(28)27-11-9-26(10-12-27)20-8-7-17(14-19(20)24)25-22(29)16-6-5-15(2)18(23)13-16/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,25,29)