4-[(4-chlorophenyl)-(1,3-oxazol-2-ylmethyl)amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[(4-chlorophenyl)-(1,3-oxazol-2-ylmethyl)amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[4-chloro-N-(oxazol-2-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-[4-chloro-N-(2-oxazolylmethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[4-chloro-N-(1,3-oxazol-2-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[4-chloro-N-(oxazol-2-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC3=NC=CO3)C4=CC=C(C=C4)Cl)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC3=NC=CO3)C4=CC=C(C=C4)Cl)O)C

InChI

InChI=1S/C22H20ClN3O3/c1-22(2)21(27)20(17-11-14(12-24)3-8-18(17)29-22)26(13-19-25-9-10-28-19)16-6-4-15(23)5-7-16/h3-11,20-21,27H,13H2,1-2H3