2-(2,4-dimethoxyphenyl)-4-[[(2S)-1-ethylpyrrolidin-2-yl]methyliminomethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(2,4-dimethoxyphenyl)-4-[[(2S)-1-ethylpyrrolidin-2-yl]methyliminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-(2,4-dimethoxyphenyl)-4-[[(2S)-1-ethylpyrrolidin-2-yl]methyliminomethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-(2,4-dimethoxyphenyl)-4-[[(2S)-1-ethyl-2-pyrrolidinyl]methyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-(2,4-dimethoxyphenyl)-4-[[(2S)-1-ethylpyrrolidin-2-yl]methyliminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-(2,4-dimethoxyphenyl)-4-[[(2S)-1-ethylpyrrolidin-2-yl]methyliminomethyl]-4H-isoquinoline-1,3-quinone Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CCN1CCC[C@H]1CN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C25H29N3O4/c1-4-27-13-7-8-17(27)15-26-16-21-19-9-5-6-10-20(19)24(29)28(25(21)30)22-12-11-18(31-2)14-23(22)32-3/h5-6,9-12,14,16-17,21H,4,7-8,13,15H2,1-3H3/t17-,21?/m0/s1