2,7-bis(azanyl)-4-(3-bromanyl-4,5-dimethoxy-phenyl)-3,4-dihydro-2H-chromene-3-carbonitrile

Systemtic Name: 2,7-bis(azanyl)-4-(3-bromanyl-4,5-dimethoxy-phenyl)-3,4-dihydro-2H-chromene-3-carbonitrile Openeye Name: 2,7-diamino-4-(3-bromo-4,5-dimethoxy-phenyl)chromane-3-carbonitrile CAS Name: 2,7-diamino-4-(3-bromo-4,5-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-carbonitrile IUPAC Name: 2,7-diamino-4-(3-bromo-4,5-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3-carbonitrile Traditional Name: 2,7-diamino-4-(3-bromo-4,5-dimethoxy-phenyl)chroman-3-carbonitrile Formula: C18H18BrN3O3 MolecularWeight: 404.25782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(C(OC3=C2C=CC(=C3)N)N)C#N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(C(OC3=C2C=CC(=C3)N)N)C#N)Br)OC

InChI

InChI=1S/C18H18BrN3O3/c1-23-15-6-9(5-13(19)17(15)24-2)16-11-4-3-10(21)7-14(11)25-18(22)12(16)8-20/h3-7,12,16,18H,21-22H2,1-2H3