3-bromanyl-5-phenyl-7H-quinazolino[2,1-b]quinazolin-13-ium-12-one

Systemtic Name: 3-bromanyl-5-phenyl-7H-quinazolino[2,1-b]quinazolin-13-ium-12-one Openeye Name: 3-bromo-5-phenyl-7H-quinazolino[2,1-b]quinazolin-13-ium-12-one CAS Name: 3-bromo-5-phenyl-7H-quinazolino[2,1-b]quinazolin-13-ium-12-one IUPAC Name: 3-bromo-5-phenyl-7H-quinazolino[2,1-b]quinazolin-13-ium-12-one Traditional Name: 3-bromo-5-phenyl-7H-quinazolino[2,1-b]quinazolin-13-ium-12-one Formula: C21H13BrN3O+ MolecularWeight: 403.25142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=[N+](C4=C2C=C(C=C4)Br)C(=O)C5=CC=CC=C5N3

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=[N+](C4=C2C=C(C=C4)Br)C(=O)C5=CC=CC=C5N3

InChI

InChI=1S/C21H12BrN3O/c22-14-10-11-18-16(12-14)19(13-6-2-1-3-7-13)24-21-23-17-9-5-4-8-15(17)20(26)25(18)21/h1-12H/p+1