2-[4-(3-imidazol-1-ylpropoxy)phenyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione

Systemtic Name: 2-[4-(3-imidazol-1-ylpropoxy)phenyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione Openeye Name: 2-[4-(3-imidazol-1-ylpropoxy)phenyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione CAS Name: 2-[4-[3-(1-imidazolyl)propoxy]phenyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione IUPAC Name: 2-[4-(3-imidazol-1-ylpropoxy)phenyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione Traditional Name: 2-[4-(3-imidazol-1-ylpropoxy)phenyl]-3H-naphtho[3,2-e]benzimidazole-6,11-quinone Formula: C27H20N4O3 MolecularWeight: 448.4727

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC(=N4)C5=CC=C(C=C5)OCCCN6C=CN=C6

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC(=N4)C5=CC=C(C=C5)OCCCN6C=CN=C6

InChI

InChI=1S/C27H20N4O3/c32-25-19-4-1-2-5-20(19)26(33)23-21(25)10-11-22-24(23)30-27(29-22)17-6-8-18(9-7-17)34-15-3-13-31-14-12-28-16-31/h1-2,4-12,14,16H,3,13,15H2,(H,29,30)