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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-4-cyano-benzamide Openeye Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-cyano-benzamide CAS Name: N-[2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]phenyl]-4-cyanobenzamide IUPAC Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-cyanobenzamide Traditional Name: 4-cyano-N-[5-(piperazine-1-carbonyl)-2-(4-piperonyloylpiperazino)phenyl]benzamide Formula: C31H30N6O5 MolecularWeight: 566.6071

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5)NC(=O)C6=CC=C(C=C6)C#N

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5)NC(=O)C6=CC=C(C=C6)C#N

InChI

InChI=1S/C31H30N6O5/c32-19-21-1-3-22(4-2-21)29(38)34-25-17-23(30(39)36-11-9-33-10-12-36)5-7-26(25)35-13-15-37(16-14-35)31(40)24-6-8-27-28(18-24)42-20-41-27/h1-8,17-18,33H,9-16,20H2,(H,34,38)