3-[3-methyl-5-(2-piperazin-1-ylethoxymethyl)phenyl]benzenecarboximidamide

Systemtic Name: 3-[3-methyl-5-(2-piperazin-1-ylethoxymethyl)phenyl]benzenecarboximidamide Openeye Name: 3-[3-methyl-5-(2-piperazin-1-ylethoxymethyl)phenyl]benzamidine CAS Name: 3-[3-methyl-5-[2-(1-piperazinyl)ethoxymethyl]phenyl]benzenecarboximidamide IUPAC Name: 3-[3-methyl-5-(2-piperazin-1-ylethoxymethyl)phenyl]benzenecarboximidamide Traditional Name: 3-[3-methyl-5-(2-piperazinoethoxymethyl)phenyl]benzamidine Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)COCCN3CCNCC3

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)COCCN3CCNCC3

InChI

InChI=1S/C21H28N4O/c1-16-11-17(15-26-10-9-25-7-5-24-6-8-25)13-20(12-16)18-3-2-4-19(14-18)21(22)23/h2-4,11-14,24H,5-10,15H2,1H3,(H3,22,23)