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

Systemtic Name: (4R)-2-(3,4-dimethoxyphenyl)-4-(prop-2-ynyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4R)-2-(3,4-dimethoxyphenyl)-4-(prop-2-ynyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4R)-2-(3,4-dimethoxyphenyl)-4-(prop-2-ynyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4R)-2-(3,4-dimethoxyphenyl)-4-(prop-2-ynyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4R)-2-(3,4-dimethoxyphenyl)-4-(propargyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCC#C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)[C@H](C3=CC=CC=C3C2=O)C=NCC#C)OC

InChI

InChI=1S/C21H18N2O4/c1-4-11-22-13-17-15-7-5-6-8-16(15)20(24)23(21(17)25)14-9-10-18(26-2)19(12-14)27-3/h1,5-10,12-13,17H,11H2,2-3H3/t17-/m0/s1