2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-7,8,9,10-tetrahydro-4H-benzo[h]chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-7,8,9,10-tetrahydro-4H-benzo[h]chromene-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-7,8,9,10-tetrahydro-4H-benzo[h]chromene-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-7,8,9,10-tetrahydro-4H-benzo[h][1]benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-7,8,9,10-tetrahydro-4H-benzo[h]chromene-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-7,8,9,10-tetrahydro-4H-benzo[h]chromene-3-carbonitrile Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3=C(C4=C(CCCC4)C=C3)OC(=C2C#N)N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3=C(C4=C(CCCC4)C=C3)OC(=C2C#N)N)Br)OC

InChI

InChI=1S/C22H21BrN2O3/c1-26-18-10-13(9-17(23)21(18)27-2)19-15-8-7-12-5-3-4-6-14(12)20(15)28-22(25)16(19)11-24/h7-10,19H,3-6,25H2,1-2H3