(4R)-2-(3,4-dimethylphenyl)-4-(prop-2-ynyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4R)-2-(3,4-dimethylphenyl)-4-(prop-2-ynyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4R)-2-(3,4-dimethylphenyl)-4-(prop-2-ynyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4R)-2-(3,4-dimethylphenyl)-4-(prop-2-ynyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4R)-2-(3,4-dimethylphenyl)-4-(prop-2-ynyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4R)-2-(3,4-dimethylphenyl)-4-(propargyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C21H18N2O2 MolecularWeight: 330.37982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCC#C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)[C@H](C3=CC=CC=C3C2=O)C=NCC#C)C

InChI

InChI=1S/C21H18N2O2/c1-4-11-22-13-19-17-7-5-6-8-18(17)20(24)23(21(19)25)16-10-9-14(2)15(3)12-16/h1,5-10,12-13,19H,11H2,2-3H3/t19-/m0/s1