N-[1-(phenylmethyl)indazol-1-ium-1-yl]-6-(3-propylimidazol-4-yl)quinazolin-4-amine

Systemtic Name: N-[1-(phenylmethyl)indazol-1-ium-1-yl]-6-(3-propylimidazol-4-yl)quinazolin-4-amine Openeye Name: N-(1-benzylindazol-1-ium-1-yl)-6-(3-propylimidazol-4-yl)quinazolin-4-amine CAS Name: N-[1-(phenylmethyl)-1-indazol-1-iumyl]-6-(3-propyl-4-imidazolyl)-4-quinazolinamine IUPAC Name: N-(1-benzylindazol-1-ium-1-yl)-6-(3-propylimidazol-4-yl)quinazolin-4-amine Traditional Name: (1-benzylindazol-1-ium-1-yl)-[6-(3-propylimidazol-4-yl)quinazolin-4-yl]amine Formula: C28H26N7+ MolecularWeight: 460.55294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC=C1C2=CC3=C(C=C2)N=CN=C3N[N+]4(C5=CC=CC=C5C=N4)CC6=CC=CC=C6

Isomeric SMILES

CCCN1C=NC=C1C2=CC3=C(C=C2)N=CN=C3N[N+]4(C5=CC=CC=C5C=N4)CC6=CC=CC=C6

InChI

InChI=1S/C28H26N7/c1-2-14-34-20-29-17-26(34)22-12-13-25-24(15-22)28(31-19-30-25)33-35(18-21-8-4-3-5-9-21)27-11-7-6-10-23(27)16-32-35/h3-13,15-17,19-20H,2,14,18H2,1H3,(H,30,31,33)/q+1