(4S)-2-(4-methylphenyl)-4-(prop-2-ynyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(4-methylphenyl)-4-(prop-2-ynyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-(prop-2-ynyliminomethyl)-2-(p-tolyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(4-methylphenyl)-4-(prop-2-ynyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(4-methylphenyl)-4-(prop-2-ynyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-(propargyliminomethyl)-2-(p-tolyl)-4H-isoquinoline-1,3-quinone Formula: C20H16N2O2 MolecularWeight: 316.35324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O2/c1-3-12-21-13-18-16-6-4-5-7-17(16)19(23)22(20(18)24)15-10-8-14(2)9-11-15/h1,4-11,13,18H,12H2,2H3/t18-/m1/s1