4-[[(2R)-2-(dimethylamino)-2-phenyl-ethyl]iminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[[(2R)-2-(dimethylamino)-2-phenyl-ethyl]iminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione Openeye Name: 4-[[(2R)-2-(dimethylamino)-2-phenyl-ethyl]iminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione CAS Name: 4-[[(2R)-2-(dimethylamino)-2-phenylethyl]iminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-[[(2R)-2-(dimethylamino)-2-phenylethyl]iminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione Traditional Name: 4-[[(2R)-2-(dimethylamino)-2-phenyl-ethyl]iminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-quinone Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CN(C)[C@@H](CN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3/c1-29(2)25(19-10-5-4-6-11-19)18-28-17-24-22-14-7-8-15-23(22)26(31)30(27(24)32)20-12-9-13-21(16-20)33-3/h4-17,24-25H,18H2,1-3H3/t24?,25-/m0/s1