4-(3-ethylpent-1-yn-3-yliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: 4-(3-ethylpent-1-yn-3-yliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: 4-(1,1-diethylprop-2-ynyliminomethyl)-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: 4-(3-ethylpent-1-yn-3-yliminomethyl)-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-(3-ethylpent-1-yn-3-yliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: 4-(1,1-diethylprop-2-ynyliminomethyl)-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2/c1-4-22(5-2,6-3)24-15-18-16-11-7-8-12-17(16)20(26)25(21(18)27)19-13-9-10-14-23-19/h1,7-15,18H,5-6H2,2-3H3