2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]-1H-isoquinoline-1-carbonitrile Openeye Name: 2-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-1H-isoquinoline-1-carbonitrile CAS Name: 2-[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1H-isoquinoline-1-carbonitrile Traditional Name: 2-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-1H-isoquinoline-1-carbonitrile Formula: C21H15N3O2 MolecularWeight: 341.3627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3C=CC4=CC=CC=C4C3C#N

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3C=CC4=CC=CC=C4C3C#N

InChI

InChI=1S/C21H15N3O2/c1-14-19(20(23-26-14)16-8-3-2-4-9-16)21(25)24-12-11-15-7-5-6-10-17(15)18(24)13-22/h2-12,18H,1H3