2-azanyl-4-bromanyl-quinoline-3-carbonitrile; 2-azanyl-4-(4-methylphenyl)quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-bromanyl-quinoline-3-carbonitrile; 2-azanyl-4-(4-methylphenyl)quinoline-3-carbonitrile Openeye Name: 2-amino-4-bromo-quinoline-3-carbonitrile; 2-amino-4-(p-tolyl)quinoline-3-carbonitrile CAS Name: 2-amino-4-bromo-3-quinolinecarbonitrile; 2-amino-4-(4-methylphenyl)-3-quinolinecarbonitrile IUPAC Name: 2-amino-4-bromoquinoline-3-carbonitrile; 2-amino-4-(4-methylphenyl)quinoline-3-carbonitrile Traditional Name: 2-amino-4-bromo-quinoline-3-carbonitrile; 2-amino-4-(p-tolyl)quinoline-3-carbonitrile Formula: C27H19BrN6 MolecularWeight: 507.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC3=CC=CC=C32)N)C#N.C1=CC=C2C(=C1)C(=C(C(=N2)N)C#N)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC3=CC=CC=C32)N)C#N.C1=CC=C2C(=C1)C(=C(C(=N2)N)C#N)Br

InChI

InChI=1S/C17H13N3.C10H6BrN3/c1-11-6-8-12(9-7-11)16-13-4-2-3-5-15(13)20-17(19)14(16)10-18;11-9-6-3-1-2-4-8(6)14-10(13)7(9)5-12/h2-9H,1H3,(H2,19,20);1-4H,(H2,13,14)