N1-methyl-N3-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzene-1,3-dicarboxamide

Systemtic Name: N1-methyl-N3-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzene-1,3-dicarboxamide Openeye Name: N1-methyl-N3-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzene-1,3-dicarboxamide CAS Name: N1-methyl-N3-[[3-[3-(1-piperazinylmethyl)phenyl]phenyl]methyl]benzene-1,3-dicarboxamide IUPAC Name: 1-N-methyl-3-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzene-1,3-dicarboxamide Traditional Name: N-methyl-N'-[3-[3-(piperazinomethyl)phenyl]benzyl]isophthalamide Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)C(=O)NCC2=CC=CC(=C2)C3=CC(=CC=C3)CN4CCNCC4

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)C(=O)NCC2=CC=CC(=C2)C3=CC(=CC=C3)CN4CCNCC4

InChI

InChI=1S/C27H30N4O2/c1-28-26(32)24-9-4-10-25(17-24)27(33)30-18-20-5-2-7-22(15-20)23-8-3-6-21(16-23)19-31-13-11-29-12-14-31/h2-10,15-17,29H,11-14,18-19H2,1H3,(H,28,32)(H,30,33)