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

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

Systemtic Name:4-[3-(tert-butylamino)propyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione
Openeye Name:4-[3-(tert-butylamino)propyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-dione
CAS Name:4-[3-(tert-butylamino)propyliminomethyl]-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione
IUPAC Name:4-[3-(tert-butylamino)propyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione
Traditional Name:4-[3-(tert-butylamino)propyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone
Formula: C22H26N4O2
MolecularWeight: 378.46744
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=N3


Isomeric SMILES

CC(C)(C)NCCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=N3


InChI

InChI=1S/C22H26N4O2/c1-22(2,3)25-14-8-12-23-15-18-16-9-4-5-10-17(16)20(27)26(21(18)28)19-11-6-7-13-24-19/h4-7,9-11,13,15,18,25H,8,12,14H2,1-3H3


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