2-[6-[3-(4-methylpiperazin-1-yl)propylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[6-[3-(4-methylpiperazin-1-yl)propylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[6-[3-(4-methylpiperazin-1-yl)propylamino]-3-pyridyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[6-[3-(4-methyl-1-piperazinyl)propylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[6-[3-(4-methylpiperazin-1-yl)propylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[6-[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=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

CN1CCN(CC1)CCCNC2=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N

InChI

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