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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-4-cyano-benzamide Openeye Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-cyano-benzamide CAS Name: N-[2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-4-cyanobenzamide IUPAC Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-cyanobenzamide Traditional Name: 4-cyano-N-[5-(piperazine-1-carbonyl)-2-(4-piperonyloyl-1,4-diazepan-1-yl)phenyl]benzamide Formula: C32H32N6O5 MolecularWeight: 580.63368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)C(=O)N5CCNCC5)NC(=O)C6=CC=C(C=C6)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)C(=O)N5CCNCC5)NC(=O)C6=CC=C(C=C6)C#N

InChI

InChI=1S/C32H32N6O5/c33-20-22-2-4-23(5-3-22)30(39)35-26-18-24(31(40)38-14-10-34-11-15-38)6-8-27(26)36-12-1-13-37(17-16-36)32(41)25-7-9-28-29(19-25)43-21-42-28/h2-9,18-19,34H,1,10-17,21H2,(H,35,39)