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

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3,5-diethoxy-benzamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3,5-diethoxy-benzamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3,5-diethoxybenzamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3,5-diethoxybenzamide Traditional Name: N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-3,5-diethoxy-benzamide Formula: C26H34ClN3O4 MolecularWeight: 488.01886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34ClN3O4/c1-5-33-21-14-19(15-22(17-21)34-6-2)26(32)28-20-7-8-24(23(27)16-20)29-9-11-30(12-10-29)25(31)13-18(3)4/h7-8,14-18H,5-6,9-13H2,1-4H3,(H,28,32)