1-ethyl-3-piperidin-4-yl-4,5,6,7-tetrakis(2-pyrazin-2-ylcarbonyl-1H-azepin-4-yl)benzimidazol-2-one

Systemtic Name: 1-ethyl-3-piperidin-4-yl-4,5,6,7-tetrakis(2-pyrazin-2-ylcarbonyl-1H-azepin-4-yl)benzimidazol-2-one Openeye Name: 1-ethyl-3-(4-piperidyl)-4,5,6,7-tetrakis[2-(pyrazine-2-carbonyl)-1H-azepin-4-yl]benzimidazol-2-one CAS Name: 1-ethyl-4,5,6,7-tetrakis[2-[oxo(2-pyrazinyl)methyl]-1H-azepin-4-yl]-3-(4-piperidinyl)-2-benzimidazolone IUPAC Name: 1-ethyl-3-piperidin-4-yl-4,5,6,7-tetrakis[2-(pyrazine-2-carbonyl)-1H-azepin-4-yl]benzimidazol-2-one Traditional Name: 1-ethyl-3-(4-piperidyl)-4,5,6,7-tetrakis(2-pyrazinoyl-1H-azepin-4-yl)benzimidazol-2-one Formula: C58H47N15O5 MolecularWeight: 1034.09128

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C(=C2N(C1=O)C3CCNCC3)C4=CC=CNC(=C4)C(=O)C5=NC=CN=C5)C6=CC=CNC(=C6)C(=O)C7=NC=CN=C7)C8=CC=CNC(=C8)C(=O)C9=NC=CN=C9)C1=CC=CNC(=C1)C(=O)C1=NC=CN=C1

Isomeric SMILES

CCN1C2=C(C(=C(C(=C2N(C1=O)C3CCNCC3)C4=CC=CNC(=C4)C(=O)C5=NC=CN=C5)C6=CC=CNC(=C6)C(=O)C7=NC=CN=C7)C8=CC=CNC(=C8)C(=O)C9=NC=CN=C9)C1=CC=CNC(=C1)C(=O)C1=NC=CN=C1

InChI

InChI=1S/C58H47N15O5/c1-2-72-52-50(37-9-5-15-66-42(29-37)56(76)46-33-62-21-25-70-46)48(35-7-3-13-64-40(27-35)54(74)44-31-60-19-23-68-44)49(36-8-4-14-65-41(28-36)55(75)45-32-61-20-24-69-45)51(53(52)73(58(72)78)39-11-17-59-18-12-39)38-10-6-16-67-43(30-38)57(77)47-34-63-22-26-71-47/h3-10,13-16,19-34,39,59,64-67H,2,11-12,17-18H2,1H3