3-[6-[(5-bromanyl-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile

Systemtic Name: 3-[6-[(5-bromanyl-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile Openeye Name: 3-[6-[(5-bromoindan-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile CAS Name: 3-[6-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-pyrazinyl]-5-benzimidazolecarbonitrile IUPAC Name: 3-[6-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile Traditional Name: 3-[6-[(5-bromoindan-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile Formula: C21H15BrN6 MolecularWeight: 431.288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1NC3=NC(=CN=C3)N4C=NC5=C4C=C(C=C5)C#N)C=CC(=C2)Br

Isomeric SMILES

C1CC2=C(C1NC3=NC(=CN=C3)N4C=NC5=C4C=C(C=C5)C#N)C=CC(=C2)Br

InChI

InChI=1S/C21H15BrN6/c22-15-3-4-16-14(8-15)2-6-17(16)26-20-10-24-11-21(27-20)28-12-25-18-5-1-13(9-23)7-19(18)28/h1,3-5,7-8,10-12,17H,2,6H2,(H,26,27)