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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]cyclopentanecarboxamide Openeye Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclopentanecarboxamide CAS Name: N-[2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]cyclopentanecarboxamide IUPAC Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclopentanecarboxamide Traditional Name: N-[5-(piperazine-1-carbonyl)-2-(4-piperonyloyl-1,4-diazepan-1-yl)phenyl]cyclopentanecarboxamide Formula: C30H37N5O5 MolecularWeight: 547.64528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC(C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H37N5O5/c36-28(21-4-1-2-5-21)32-24-18-22(29(37)35-14-10-31-11-15-35)6-8-25(24)33-12-3-13-34(17-16-33)30(38)23-7-9-26-27(19-23)40-20-39-26/h6-9,18-19,21,31H,1-5,10-17,20H2,(H,32,36)