N1,N4-bis(piperidin-4-ylmethyl)benzene-1,4-dicarboxamide hydrate

Systemtic Name: N1,N4-bis(piperidin-4-ylmethyl)benzene-1,4-dicarboxamide hydrate Openeye Name: N1,N4-bis(4-piperidylmethyl)terephthalamide hydrate CAS Name: N1,N4-bis(4-piperidinylmethyl)benzene-1,4-dicarboxamide hydrate IUPAC Name: 1-N,4-N-bis(piperidin-4-ylmethyl)benzene-1,4-dicarboxamide hydrate Traditional Name: N,N'-bis(4-piperidylmethyl)terephthalamide hydrate Formula: C20H32N4O3 MolecularWeight: 376.49308

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CNC(=O)C2=CC=C(C=C2)C(=O)NCC3CCNCC3.O

Isomeric SMILES

C1CNCCC1CNC(=O)C2=CC=C(C=C2)C(=O)NCC3CCNCC3.O

InChI

InChI=1S/C20H30N4O2.H2O/c25-19(23-13-15-5-9-21-10-6-15)17-1-2-18(4-3-17)20(26)24-14-16-7-11-22-12-8-16;/h1-4,15-16,21-22H,5-14H2,(H,23,25)(H,24,26);1H2