5-(1,3-benzodioxol-4-ylmethylamino)-2-(4-chlorophenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(1,3-benzodioxol-4-ylmethylamino)-2-(4-chlorophenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-4-ylmethylamino)-2-(4-chlorophenyl)oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-4-ylmethylamino)-2-(4-chlorophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-4-ylmethylamino)-2-(4-chlorophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(1,3-benzodioxol-4-ylmethylamino)-2-(4-chlorophenyl)oxazole-4-carbonitrile Formula: C18H12ClN3O3 MolecularWeight: 353.75918

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)CNC3=C(N=C(O3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1OC2=CC=CC(=C2O1)CNC3=C(N=C(O3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C18H12ClN3O3/c19-13-6-4-11(5-7-13)17-22-14(8-20)18(25-17)21-9-12-2-1-3-15-16(12)24-10-23-15/h1-7,21H,9-10H2