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

Systemtic Name: 2-[6-[methyl(2-piperazin-1-ylethyl)amino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[6-[methyl(2-piperazin-1-ylethyl)amino]-3-pyridyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[6-[methyl-[2-(1-piperazinyl)ethyl]amino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[6-[methyl(2-piperazin-1-ylethyl)amino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[6-[methyl(2-piperazinoethyl)amino]-3-pyridyl]-1H-benzimidazole-4-carboxamide Formula: C20H25N7O MolecularWeight: 379.4588

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCNCC1)C2=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

CN(CCN1CCNCC1)C2=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N

InChI

InChI=1S/C20H25N7O/c1-26(11-12-27-9-7-22-8-10-27)17-6-5-14(13-23-17)20-24-16-4-2-3-15(19(21)28)18(16)25-20/h2-6,13,22H,7-12H2,1H3,(H2,21,28)(H,24,25)