(4R)-2-(3,4-dimethylphenyl)-4-(3-propan-2-yloxypropyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4R)-2-(3,4-dimethylphenyl)-4-(3-propan-2-yloxypropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4R)-2-(3,4-dimethylphenyl)-4-(3-isopropoxypropyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4R)-2-(3,4-dimethylphenyl)-4-(3-propan-2-yloxypropyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4R)-2-(3,4-dimethylphenyl)-4-(3-propan-2-yloxypropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4R)-2-(3,4-dimethylphenyl)-4-(3-isopropoxypropyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C24H28N2O3 MolecularWeight: 392.49072

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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=NCCCOC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O3/c1-16(2)29-13-7-12-25-15-22-20-8-5-6-9-21(20)23(27)26(24(22)28)19-11-10-17(3)18(4)14-19/h5-6,8-11,14-16,22H,7,12-13H2,1-4H3/t22-/m0/s1