3-[1-[[4-(7-nitro-3-phenyl-quinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[[4-(7-nitro-3-phenyl-quinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[[4-(7-nitro-3-phenyl-quinoxalin-2-yl)phenyl]methyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[[4-(7-nitro-3-phenyl-2-quinoxalinyl)phenyl]methyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[[4-(7-nitro-3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[4-(7-nitro-3-phenyl-quinoxalin-2-yl)benzyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C33H28N6O3 MolecularWeight: 556.61382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=NC6=C(C=CC(=C6)[N+](=O)[O-])N=C5C7=CC=CC=C7

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=NC6=C(C=CC(=C6)[N+](=O)[O-])N=C5C7=CC=CC=C7

InChI

InChI=1S/C33H28N6O3/c40-33-36-28-8-4-5-9-30(28)38(33)25-16-18-37(19-17-25)21-22-10-12-24(13-11-22)32-31(23-6-2-1-3-7-23)34-27-15-14-26(39(41)42)20-29(27)35-32/h1-15,20,25H,16-19,21H2,(H,36,40)