5-[3,6-bis(4-methoxyphenyl)pyridazin-4-yl]-3-(4-chlorophenyl)-2,1-benzoxazole

Systemtic Name: 5-[3,6-bis(4-methoxyphenyl)pyridazin-4-yl]-3-(4-chlorophenyl)-2,1-benzoxazole Openeye Name: 5-[3,6-bis(4-methoxyphenyl)pyridazin-4-yl]-3-(4-chlorophenyl)-2,1-benzoxazole CAS Name: 5-[3,6-bis(4-methoxyphenyl)-4-pyridazinyl]-3-(4-chlorophenyl)-2,1-benzoxazole IUPAC Name: 5-[3,6-bis(4-methoxyphenyl)pyridazin-4-yl]-3-(4-chlorophenyl)-2,1-benzoxazole Traditional Name: 5-[3,6-bis(4-methoxyphenyl)pyridazin-4-yl]-3-(4-chlorophenyl)anthranil Formula: C31H22ClN3O3 MolecularWeight: 519.97768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(C(=C2)C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(C(=C2)C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC

InChI

InChI=1S/C31H22ClN3O3/c1-36-24-12-5-19(6-13-24)29-18-26(30(34-33-29)20-7-14-25(37-2)15-8-20)22-9-16-28-27(17-22)31(38-35-28)21-3-10-23(32)11-4-21/h3-18H,1-2H3