3-[1-[[4-[6-(4-methylpiperazin-1-yl)carbonyl-3-phenyl-quinoxalin-2-yl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[[4-[6-(4-methylpiperazin-1-yl)carbonyl-3-phenyl-quinoxalin-2-yl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[[4-[6-(4-methylpiperazine-1-carbonyl)-3-phenyl-quinoxalin-2-yl]phenyl]methyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[[4-[6-[(4-methyl-1-piperazinyl)-oxomethyl]-3-phenyl-2-quinoxalinyl]phenyl]methyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[[4-[6-(4-methylpiperazine-1-carbonyl)-3-phenylquinoxalin-2-yl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[4-[6-(4-methylpiperazine-1-carbonyl)-3-phenyl-quinoxalin-2-yl]benzyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C39H39N7O2 MolecularWeight: 637.77266

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)CN6CCC(CC6)N7C8=CC=CC=C8NC7=O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)CN6CCC(CC6)N7C8=CC=CC=C8NC7=O

InChI

InChI=1S/C39H39N7O2/c1-43-21-23-45(24-22-43)38(47)30-15-16-32-34(25-30)41-36(28-7-3-2-4-8-28)37(40-32)29-13-11-27(12-14-29)26-44-19-17-31(18-20-44)46-35-10-6-5-9-33(35)42-39(46)48/h2-16,25,31H,17-24,26H2,1H3,(H,42,48)