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

Systemtic Name: 5-[3,6-bis(4-methylphenyl)pyridazin-4-yl]-3-(4-chlorophenyl)-2,1-benzoxazole Openeye Name: 5-[3,6-bis(p-tolyl)pyridazin-4-yl]-3-(4-chlorophenyl)-2,1-benzoxazole CAS Name: 5-[3,6-bis(4-methylphenyl)-4-pyridazinyl]-3-(4-chlorophenyl)-2,1-benzoxazole IUPAC Name: 5-[3,6-bis(4-methylphenyl)pyridazin-4-yl]-3-(4-chlorophenyl)-2,1-benzoxazole Traditional Name: 5-[3,6-bis(p-tolyl)pyridazin-4-yl]-3-(4-chlorophenyl)anthranil Formula: C31H22ClN3O MolecularWeight: 487.97888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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)C

Isomeric SMILES

CC1=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)C

InChI

InChI=1S/C31H22ClN3O/c1-19-3-7-21(8-4-19)29-18-26(30(34-33-29)22-9-5-20(2)6-10-22)24-13-16-28-27(17-24)31(36-35-28)23-11-14-25(32)15-12-23/h3-18H,1-2H3