4-[(4-fluorophenyl)-(pyridin-3-ylmethyl)amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[(4-fluorophenyl)-(pyridin-3-ylmethyl)amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[4-fluoro-N-(3-pyridylmethyl)anilino]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-[4-fluoro-N-(3-pyridinylmethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[4-fluoro-N-(pyridin-3-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[4-fluoro-N-(3-pyridylmethyl)anilino]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C24H22FN3O2 MolecularWeight: 403.448783

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC3=CN=CC=C3)C4=CC=C(C=C4)F)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC3=CN=CC=C3)C4=CC=C(C=C4)F)O)C

InChI

InChI=1S/C24H22FN3O2/c1-24(2)23(29)22(20-12-16(13-26)5-10-21(20)30-24)28(15-17-4-3-11-27-14-17)19-8-6-18(25)7-9-19/h3-12,14,22-23,29H,15H2,1-2H3