2-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[2-[3-(4-methylpiperazin-1-yl)propylamino]-3-pyridyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[2-[3-(4-methyl-1-piperazinyl)propylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[2-[3-(4-methylpiperazino)propylamino]-3-pyridyl]-1H-benzimidazole-4-carboxamide Formula: C21H27N7O MolecularWeight: 393.48538

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC2=C(C=CC=N2)C3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

CN1CCN(CC1)CCCNC2=C(C=CC=N2)C3=NC4=C(C=CC=C4N3)C(=O)N

InChI

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