4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline CAS Name: 4-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-ylquinazoline Traditional Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline Formula: C30H26F2N5+ MolecularWeight: 494.557746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=NC(=NC5=CC=CC=C54)C6=CN=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=NC(=NC5=CC=CC=C54)C6=CN=CC=C6

InChI

InChI=1S/C30H25F2N5/c31-24-11-7-21(8-12-24)28(22-9-13-25(32)14-10-22)36-16-18-37(19-17-36)30-26-5-1-2-6-27(26)34-29(35-30)23-4-3-15-33-20-23/h1-15,20,28H,16-19H2/p+1