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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]cyclohexanecarboxamide Openeye Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclohexanecarboxamide CAS Name: N-[2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclohexanecarboxamide Traditional Name: N-[5-(piperazine-1-carbonyl)-2-(4-piperonyloyl-1,4-diazepan-1-yl)phenyl]cyclohexanecarboxamide Formula: C31H39N5O5 MolecularWeight: 561.67186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H39N5O5/c37-29(22-5-2-1-3-6-22)33-25-19-23(30(38)36-15-11-32-12-16-36)7-9-26(25)34-13-4-14-35(18-17-34)31(39)24-8-10-27-28(20-24)41-21-40-27/h7-10,19-20,22,32H,1-6,11-18,21H2,(H,33,37)