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

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-ethoxy-benzamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-ethoxy-benzamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-4-ethoxybenzamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-ethoxybenzamide Traditional Name: N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-4-ethoxy-benzamide Formula: C24H30ClN3O3 MolecularWeight: 443.9663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)Cl

InChI

InChI=1S/C24H30ClN3O3/c1-4-31-20-8-5-18(6-9-20)24(30)26-19-7-10-22(21(25)16-19)27-11-13-28(14-12-27)23(29)15-17(2)3/h5-10,16-17H,4,11-15H2,1-3H3,(H,26,30)