N-[2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-fluoro-benzamide CAS Name: N-[2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-[5-(piperazine-1-carbonyl)-2-(4-veratroylpiperazino)phenyl]benzamide Formula: C31H34FN5O5 MolecularWeight: 575.630563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=C(C=C5)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=C(C=C5)F)OC

InChI

InChI=1S/C31H34FN5O5/c1-41-27-10-6-23(20-28(27)42-2)31(40)37-17-15-35(16-18-37)26-9-5-22(30(39)36-13-11-33-12-14-36)19-25(26)34-29(38)21-3-7-24(32)8-4-21/h3-10,19-20,33H,11-18H2,1-2H3,(H,34,38)