1-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)benzotriazole-5-carbonitrile

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)benzotriazole-5-carbonitrile Openeye Name: 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzotriazole-5-carbonitrile CAS Name: 1-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-5-benzotriazolecarbonitrile IUPAC Name: 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzotriazole-5-carbonitrile Traditional Name: 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzotriazole-5-carbonitrile Formula: C17H13N5O MolecularWeight: 303.31802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)N3C4=C(C=C(C=C4)C#N)N=N3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)N3C4=C(C=C(C=C4)C#N)N=N3

InChI

InChI=1S/C17H13N5O/c18-10-12-5-6-16-15(9-12)19-20-22(16)17(23)21-8-7-13-3-1-2-4-14(13)11-21/h1-6,9H,7-8,11H2