2-[6-[methyl(3-piperazin-1-ylpropyl)amino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[6-[methyl(3-piperazin-1-ylpropyl)amino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[6-[methyl(3-piperazin-1-ylpropyl)amino]-3-pyridyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[6-[methyl-[3-(1-piperazinyl)propyl]amino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[6-[methyl(3-piperazin-1-ylpropyl)amino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[6-[methyl(3-piperazinopropyl)amino]-3-pyridyl]-1H-benzimidazole-4-carboxamide Formula: C21H27N7O MolecularWeight: 393.48538

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCNCC1)C2=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

CN(CCCN1CCNCC1)C2=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N

InChI

InChI=1S/C21H27N7O/c1-27(10-3-11-28-12-8-23-9-13-28)18-7-6-15(14-24-18)21-25-17-5-2-4-16(20(22)29)19(17)26-21/h2,4-7,14,23H,3,8-13H2,1H3,(H2,22,29)(H,25,26)