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

Systemtic Name: 2-[6-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[6-[2-(4-benzylpiperazin-1-yl)ethylamino]-3-pyridyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[6-[2-[4-(phenylmethyl)-1-piperazinyl]ethylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[6-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[6-[2-(4-benzylpiperazino)ethylamino]-3-pyridyl]-1H-benzimidazole-4-carboxamide Formula: C26H29N7O MolecularWeight: 455.55476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC2=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCNC2=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N)CC5=CC=CC=C5

InChI

InChI=1S/C26H29N7O/c27-25(34)21-7-4-8-22-24(21)31-26(30-22)20-9-10-23(29-17-20)28-11-12-32-13-15-33(16-14-32)18-19-5-2-1-3-6-19/h1-10,17H,11-16,18H2,(H2,27,34)(H,28,29)(H,30,31)