N1,N4-bis[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[(6-pyrrolidin-1-yl-3-pyridyl)methyl]terephthalamide CAS Name: N1,N4-bis[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[(6-pyrrolidino-3-pyridyl)methyl]terephthalamide Formula: C28H32N6O2 MolecularWeight: 484.59268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)C3=CC=C(C=C3)C(=O)NCC4=CN=C(C=C4)N5CCCC5

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)C3=CC=C(C=C3)C(=O)NCC4=CN=C(C=C4)N5CCCC5

InChI

InChI=1S/C28H32N6O2/c35-27(31-19-21-5-11-25(29-17-21)33-13-1-2-14-33)23-7-9-24(10-8-23)28(36)32-20-22-6-12-26(30-18-22)34-15-3-4-16-34/h5-12,17-18H,1-4,13-16,19-20H2,(H,31,35)(H,32,36)