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

Systemtic Name: 2-[2-[3-[4-(phenylmethyl)piperazin-1-yl]propylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[2-[3-(4-benzylpiperazin-1-yl)propylamino]-3-pyridyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[2-[3-[4-(phenylmethyl)-1-piperazinyl]propylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[2-[3-(4-benzylpiperazin-1-yl)propylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[2-[3-(4-benzylpiperazino)propylamino]-3-pyridyl]-1H-benzimidazole-4-carboxamide Formula: C27H31N7O MolecularWeight: 469.58134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC2=C(C=CC=N2)C3=NC4=C(C=CC=C4N3)C(=O)N)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCNC2=C(C=CC=N2)C3=NC4=C(C=CC=C4N3)C(=O)N)CC5=CC=CC=C5

InChI

InChI=1S/C27H31N7O/c28-25(35)21-9-4-11-23-24(21)32-27(31-23)22-10-5-12-29-26(22)30-13-6-14-33-15-17-34(18-16-33)19-20-7-2-1-3-8-20/h1-5,7-12H,6,13-19H2,(H2,28,35)(H,29,30)(H,31,32)