2-azanyl-4-[3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[3-bromo-4-(2-fluorobenzyl)oxy-5-methoxy-phenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C24H20BrFN2O4 MolecularWeight: 499.329003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br)OCC4=CC=CC=C4F

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br)OCC4=CC=CC=C4F

InChI

InChI=1S/C24H20BrFN2O4/c1-30-20-10-14(9-16(25)23(20)31-12-13-5-2-3-6-17(13)26)21-15(11-27)24(28)32-19-8-4-7-18(29)22(19)21/h2-3,5-6,9-10,21H,4,7-8,12,28H2,1H3