2,3-bis(6-chloranyl-3-oxidanidyl-4-phenyl-quinazolin-3-ium-2-yl)-2-[(6-chloranyl-3-oxidanidyl-4-phenyl-quinazolin-3-ium-2-yl)methyl]propanenitrile

Systemtic Name: 2,3-bis(6-chloranyl-3-oxidanidyl-4-phenyl-quinazolin-3-ium-2-yl)-2-[(6-chloranyl-3-oxidanidyl-4-phenyl-quinazolin-3-ium-2-yl)methyl]propanenitrile Openeye Name: 2,3-bis(6-chloro-3-oxido-4-phenyl-quinazolin-3-ium-2-yl)-2-[(6-chloro-3-oxido-4-phenyl-quinazolin-3-ium-2-yl)methyl]propanenitrile CAS Name: 2,3-bis(6-chloro-3-oxido-4-phenyl-2-quinazolin-3-iumyl)-2-[(6-chloro-3-oxido-4-phenyl-2-quinazolin-3-iumyl)methyl]propanenitrile IUPAC Name: 2,3-bis(6-chloro-3-oxido-4-phenylquinazolin-3-ium-2-yl)-2-[(6-chloro-3-oxido-4-phenylquinazolin-3-ium-2-yl)methyl]propanenitrile Traditional Name: 2,3-bis(6-chloro-3-oxido-4-phenyl-quinazolin-3-ium-2-yl)-2-[(6-chloro-3-oxido-4-phenyl-quinazolin-3-ium-2-yl)methyl]propionitrile Formula: C46H28Cl3N7O3 MolecularWeight: 833.11862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](C(=NC3=C2C=C(C=C3)Cl)CC(CC4=NC5=C(C=C(C=C5)Cl)C(=[N+]4[O-])C6=CC=CC=C6)(C#N)C7=NC8=C(C=C(C=C8)Cl)C(=[N+]7[O-])C9=CC=CC=C9)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=[N+](C(=NC3=C2C=C(C=C3)Cl)CC(CC4=NC5=C(C=C(C=C5)Cl)C(=[N+]4[O-])C6=CC=CC=C6)(C#N)C7=NC8=C(C=C(C=C8)Cl)C(=[N+]7[O-])C9=CC=CC=C9)[O-]

InChI

InChI=1S/C46H28Cl3N7O3/c47-31-16-19-37-34(22-31)42(28-10-4-1-5-11-28)54(57)40(51-37)25-46(27-50,45-53-39-21-18-33(49)24-36(39)44(56(45)59)30-14-8-3-9-15-30)26-41-52-38-20-17-32(48)23-35(38)43(55(41)58)29-12-6-2-7-13-29/h1-24H,25-26H2