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

Systemtic Name: (1S)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]-1H-isoquinoline-1-carbonitrile Openeye Name: (1S)-2-[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]-1H-isoquinoline-1-carbonitrile CAS Name: (1S)-2-[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S)-2-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-isoquinoline-1-carbonitrile Traditional Name: (1S)-2-[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]-1H-isoquinoline-1-carbonitrile Formula: C21H14ClN3O2 MolecularWeight: 375.80776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3C=CC4=CC=CC=C4C3C#N

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3C=CC4=CC=CC=C4[C@H]3C#N

InChI

InChI=1S/C21H14ClN3O2/c1-13-19(20(24-27-13)16-8-4-5-9-17(16)22)21(26)25-11-10-14-6-2-3-7-15(14)18(25)12-23/h2-11,18H,1H3/t18-/m1/s1