3,5-diethoxy-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide

Systemtic Name: 3,5-diethoxy-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 3,5-diethoxy-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide CAS Name: 3,5-diethoxy-N-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: 3,5-diethoxy-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 3,5-diethoxy-N-[4-(4-isovalerylpiperazino)phenyl]benzamide Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O4/c1-5-32-23-16-20(17-24(18-23)33-6-2)26(31)27-21-7-9-22(10-8-21)28-11-13-29(14-12-28)25(30)15-19(3)4/h7-10,16-19H,5-6,11-15H2,1-4H3,(H,27,31)