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(4S)-4-[3-(tert-butylamino)propyliminomethyl]-2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione

(4S)-4-[3-(tert-butylamino)propyliminomethyl]-2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione

Systemtic Name:(4S)-4-[3-(tert-butylamino)propyliminomethyl]-2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione
Openeye Name:(4S)-4-[3-(tert-butylamino)propyliminomethyl]-2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione
CAS Name:(4S)-4-[3-(tert-butylamino)propyliminomethyl]-2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione
IUPAC Name:(4S)-4-[3-(tert-butylamino)propyliminomethyl]-2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione
Traditional Name:(4S)-4-[3-(tert-butylamino)propyliminomethyl]-2-p-phenetyl-4H-isoquinoline-1,3-quinone
Formula: C25H31N3O3
MolecularWeight: 421.53194
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCCNC(C)(C)C


Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCCCNC(C)(C)C


InChI

InChI=1S/C25H31N3O3/c1-5-31-19-13-11-18(12-14-19)28-23(29)21-10-7-6-9-20(21)22(24(28)30)17-26-15-8-16-27-25(2,3)4/h6-7,9-14,17,22,27H,5,8,15-16H2,1-4H3/t22-/m1/s1


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