4-(pyridin-3-ylmethyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-piperazine-1-carboxamide

Systemtic Name: 4-(pyridin-3-ylmethyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-piperazine-1-carboxamide Openeye Name: 4-(3-pyridylmethyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-piperazine-1-carboxamide CAS Name: 4-(3-pyridinylmethyl)-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)-1-piperazinecarboxamide IUPAC Name: 4-(pyridin-3-ylmethyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperazine-1-carboxamide Traditional Name: 4-(3-pyridylmethyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-piperazine-1-carboxamide Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)N4CCN(CC4)CC5=CN=CC=C5

Isomeric SMILES

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)N4CCN(CC4)CC5=CN=CC=C5

InChI

InChI=1S/C22H26N4O3/c27-21(26-12-10-25(11-13-26)16-17-4-3-9-23-15-17)24-18-5-6-19-20(14-18)29-22(28-19)7-1-2-8-22/h3-6,9,14-15H,1-2,7-8,10-13,16H2,(H,24,27)