1-[2-[4-(5-azanyl-1,3-benzoxazol-2-yl)butyl]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine

Systemtic Name: 1-[2-[4-(5-azanyl-1,3-benzoxazol-2-yl)butyl]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine Openeye Name: 1-[2-[4-(5-amino-1,3-benzoxazol-2-yl)butyl]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine CAS Name: 1-[2-[4-(5-amino-1,3-benzoxazol-2-yl)butyl]phenyl]-2-(6-phenyl-3-pyridazinyl)guanidine IUPAC Name: 1-[2-[4-(5-amino-1,3-benzoxazol-2-yl)butyl]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine Traditional Name: 1-[2-[4-(5-amino-1,3-benzoxazol-2-yl)butyl]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine Formula: C28H27N7O MolecularWeight: 477.56028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)N=C(N)NC3=CC=CC=C3CCCCC4=NC5=C(O4)C=CC(=C5)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)N=C(N)NC3=CC=CC=C3CCCCC4=NC5=C(O4)C=CC(=C5)N

InChI

InChI=1S/C28H27N7O/c29-21-14-16-25-24(18-21)31-27(36-25)13-7-5-11-19-10-4-6-12-22(19)32-28(30)33-26-17-15-23(34-35-26)20-8-2-1-3-9-20/h1-4,6,8-10,12,14-18H,5,7,11,13,29H2,(H3,30,32,33,35)