N-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-4-tert-butyl-benzamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-4-tert-butyl-benzamide Openeye Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-tert-butyl-benzamide CAS Name: N-[2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]phenyl]-4-tert-butylbenzamide IUPAC Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-tert-butylbenzamide Traditional Name: 4-tert-butyl-N-[5-(piperazine-1-carbonyl)-2-(4-piperonyloylpiperazino)phenyl]benzamide Formula: C34H39N5O5 MolecularWeight: 597.70396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C34H39N5O5/c1-34(2,3)26-8-4-23(5-9-26)31(40)36-27-20-24(32(41)38-14-12-35-13-15-38)6-10-28(27)37-16-18-39(19-17-37)33(42)25-7-11-29-30(21-25)44-22-43-29/h4-11,20-21,35H,12-19,22H2,1-3H3,(H,36,40)