3-[[4-[(3-carbamimidoylphenyl)methyl]-2,3-bis(oxidanylidene)piperazin-1-yl]methyl]benzenecarboximidamide

Systemtic Name: 3-[[4-[(3-carbamimidoylphenyl)methyl]-2,3-bis(oxidanylidene)piperazin-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[4-[(3-carbamimidoylphenyl)methyl]-2,3-dioxo-piperazin-1-yl]methyl]benzamidine CAS Name: 3-[[4-[(3-carbamimidoylphenyl)methyl]-2,3-dioxo-1-piperazinyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[4-[(3-carbamimidoylphenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[4-(3-amidinobenzyl)-2,3-diketo-piperazino]methyl]benzamidine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CC2=CC=CC(=C2)C(=N)N)CC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1CN(C(=O)C(=O)N1CC2=CC=CC(=C2)C(=N)N)CC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C20H22N6O2/c21-17(22)15-5-1-3-13(9-15)11-25-7-8-26(20(28)19(25)27)12-14-4-2-6-16(10-14)18(23)24/h1-6,9-10H,7-8,11-12H2,(H3,21,22)(H3,23,24)