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

Systemtic Name: 2-azanyl-4-[3-bromanyl-4-[(3-chlorophenyl)methoxy]-5-ethoxy-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxy-phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[3-bromo-4-(3-chlorobenzyl)oxy-5-ethoxy-phenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C25H22BrClN2O4 MolecularWeight: 529.81018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br)OCC4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br)OCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H22BrClN2O4/c1-2-31-21-11-15(10-18(26)24(21)32-13-14-5-3-6-16(27)9-14)22-17(12-28)25(29)33-20-8-4-7-19(30)23(20)22/h3,5-6,9-11,22H,2,4,7-8,13,29H2,1H3