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

Systemtic Name: 2-(3-chlorophenyl)-4-[(3-imidazol-1-ylpropylamino)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(3-chlorophenyl)-4-[(3-imidazol-1-ylpropylamino)methylene]isoquinoline-1,3-dione CAS Name: 2-(3-chlorophenyl)-4-[[3-(1-imidazolyl)propylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(3-chlorophenyl)-4-[(3-imidazol-1-ylpropylamino)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(3-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(=CC=C4)Cl

Isomeric SMILES

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

InChI

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