2-(5-chloranylpyridin-2-yl)-4-[[3-(diethylamino)propylamino]methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(5-chloranylpyridin-2-yl)-4-[[3-(diethylamino)propylamino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(5-chloro-2-pyridyl)-4-[[3-(diethylamino)propylamino]methylene]isoquinoline-1,3-dione CAS Name: 2-(5-chloro-2-pyridinyl)-4-[[3-(diethylamino)propylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(5-chloropyridin-2-yl)-4-[[3-(diethylamino)propylamino]methylidene]isoquinoline-1,3-dione Traditional Name: 2-(5-chloro-2-pyridyl)-4-[[3-(diethylamino)propylamino]methylene]isoquinoline-1,3-quinone Formula: C22H25ClN4O2 MolecularWeight: 412.9125

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC=C1C2=CC=CC=C2C(=O)N(C1=O)C3=NC=C(C=C3)Cl

Isomeric SMILES

CCN(CC)CCCNC=C1C2=CC=CC=C2C(=O)N(C1=O)C3=NC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN4O2/c1-3-26(4-2)13-7-12-24-15-19-17-8-5-6-9-18(17)21(28)27(22(19)29)20-11-10-16(23)14-25-20/h5-6,8-11,14-15,24H,3-4,7,12-13H2,1-2H3