2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile Formula: C22H18BrN3O2 MolecularWeight: 436.30122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(C(=NC3=C2CCC4=CC=CC=C43)N)C#N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(C(=NC3=C2CCC4=CC=CC=C43)N)C#N)Br)OC

InChI

InChI=1S/C22H18BrN3O2/c1-27-18-10-13(9-17(23)21(18)28-2)19-15-8-7-12-5-3-4-6-14(12)20(15)26-22(25)16(19)11-24/h3-6,9-10H,7-8H2,1-2H3,(H2,25,26)