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

Systemtic Name: 2-[6-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[6-[2-(4-benzyl-1,4-diazepan-1-yl)ethylamino]-3-pyridyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[6-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[6-[2-(4-benzyl-1,4-diazepan-1-yl)ethylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[6-[2-(4-benzyl-1,4-diazepan-1-yl)ethylamino]-3-pyridyl]-1H-benzimidazole-4-carboxamide Formula: C27H31N7O MolecularWeight: 469.58134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC=CC=C2)CCNC3=NC=C(C=C3)C4=NC5=C(C=CC=C5N4)C(=O)N

Isomeric SMILES

C1CN(CCN(C1)CC2=CC=CC=C2)CCNC3=NC=C(C=C3)C4=NC5=C(C=CC=C5N4)C(=O)N

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)29-12-15-33-13-5-14-34(17-16-33)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)