2-azanyl-5-(6-chloranyl-2,2-dimethyl-3H-1-benzofuran-4-yl)-4-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-5-(6-chloranyl-2,2-dimethyl-3H-1-benzofuran-4-yl)-4-methyl-pyridine-3-carbonitrile Openeye Name: 2-amino-5-(6-chloro-2,2-dimethyl-3H-benzofuran-4-yl)-4-methyl-pyridine-3-carbonitrile CAS Name: 2-amino-5-(6-chloro-2,2-dimethyl-3H-benzofuran-4-yl)-4-methyl-3-pyridinecarbonitrile IUPAC Name: 2-amino-5-(6-chloro-2,2-dimethyl-3H-1-benzofuran-4-yl)-4-methylpyridine-3-carbonitrile Traditional Name: 2-amino-5-(6-chloro-2,2-dimethyl-coumaran-4-yl)-4-methyl-nicotinonitrile Formula: C17H16ClN3O MolecularWeight: 313.78144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1C2=CC(=CC3=C2CC(O3)(C)C)Cl)N)C#N

Isomeric SMILES

CC1=C(C(=NC=C1C2=CC(=CC3=C2CC(O3)(C)C)Cl)N)C#N

InChI

InChI=1S/C17H16ClN3O/c1-9-13(7-19)16(20)21-8-14(9)11-4-10(18)5-15-12(11)6-17(2,3)22-15/h4-5,8H,6H2,1-3H3,(H2,20,21)