2-[6-[2-(1,4-diazepan-1-yl)ethylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[6-[2-(1,4-diazepan-1-yl)ethylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[6-[2-(1,4-diazepan-1-yl)ethylamino]-3-pyridyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[6-[2-(1,4-diazepan-1-yl)ethylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[6-[2-(1,4-diazepan-1-yl)ethylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[6-[2-(1,4-diazepan-1-yl)ethylamino]-3-pyridyl]-1H-benzimidazole-4-carboxamide Formula: C20H25N7O MolecularWeight: 379.4588

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CCNC2=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

C1CNCCN(C1)CCNC2=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N

InChI

InChI=1S/C20H25N7O/c21-19(28)15-3-1-4-16-18(15)26-20(25-16)14-5-6-17(24-13-14)23-9-12-27-10-2-7-22-8-11-27/h1,3-6,13,22H,2,7-12H2,(H2,21,28)(H,23,24)(H,25,26)