2-(4-chlorophenyl)-4-[(3-imidazol-1-ylpropylamino)methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(4-chlorophenyl)-4-[(3-imidazol-1-ylpropylamino)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(4-chlorophenyl)-4-[(3-imidazol-1-ylpropylamino)methylene]isoquinoline-1,3-dione CAS Name: 2-(4-chlorophenyl)-4-[[3-(1-imidazolyl)propylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(4-chlorophenyl)-4-[(3-imidazol-1-ylpropylamino)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(4-chlorophenyl)-4-[(3-imidazol-1-ylpropylamino)methylene]isoquinoline-1,3-quinone Formula: C22H19ClN4O2 MolecularWeight: 406.86486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNCCCN3C=CN=C3)C(=O)N(C2=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CNCCCN3C=CN=C3)C(=O)N(C2=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4O2/c23-16-6-8-17(9-7-16)27-21(28)19-5-2-1-4-18(19)20(22(27)29)14-24-10-3-12-26-13-11-25-15-26/h1-2,4-9,11,13-15,24H,3,10,12H2