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

Systemtic Name: 2-[6-[3-[4-(phenylmethyl)piperazin-1-yl]propylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[6-[3-(4-benzylpiperazin-1-yl)propylamino]-3-pyridyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[6-[3-[4-(phenylmethyl)-1-piperazinyl]propylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[6-[3-(4-benzylpiperazin-1-yl)propylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[6-[3-(4-benzylpiperazino)propylamino]-3-pyridyl]-1H-benzimidazole-4-carboxamide Formula: C27H31N7O MolecularWeight: 469.58134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC2=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCNC2=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N)CC5=CC=CC=C5

InChI

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