4-[1,3-benzoxazol-2-yl(2-pyridin-2-ylethyl)amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[1,3-benzoxazol-2-yl(2-pyridin-2-ylethyl)amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[1,3-benzoxazol-2-yl-[2-(2-pyridyl)ethyl]amino]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-[1,3-benzoxazol-2-yl-[2-(2-pyridinyl)ethyl]amino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[1,3-benzoxazol-2-yl(2-pyridin-2-ylethyl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[1,3-benzoxazol-2-yl-[2-(2-pyridyl)ethyl]amino]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CCC3=CC=CC=N3)C4=NC5=CC=CC=C5O4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CCC3=CC=CC=N3)C4=NC5=CC=CC=C5O4)O)C

InChI

InChI=1S/C26H24N4O3/c1-26(2)24(31)23(19-15-17(16-27)10-11-21(19)33-26)30(14-12-18-7-5-6-13-28-18)25-29-20-8-3-4-9-22(20)32-25/h3-11,13,15,23-24,31H,12,14H2,1-2H3