4-[[(2S)-heptan-2-yl]iminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[[(2S)-heptan-2-yl]iminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: 4-[[(1S)-1-methylhexyl]iminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: 4-[[(2S)-heptan-2-yl]iminomethyl]-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-[[(2S)-heptan-2-yl]iminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: 4-[[(1S)-1-methylhexyl]iminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[C@H](C)N=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=N3

InChI

InChI=1S/C22H25N3O2/c1-3-4-5-10-16(2)24-15-19-17-11-6-7-12-18(17)21(26)25(22(19)27)20-13-8-9-14-23-20/h6-9,11-16,19H,3-5,10H2,1-2H3/t16-,19?/m0/s1