(4S)-2-(3-chlorophenyl)-4-(3-imidazol-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(3-chlorophenyl)-4-(3-imidazol-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(3-chlorophenyl)-4-(3-imidazol-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(3-chlorophenyl)-4-[3-(1-imidazolyl)propyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(3-chlorophenyl)-4-(3-imidazol-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(3-chlorophenyl)-4-(3-imidazol-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C22H19ClN4O2 MolecularWeight: 406.86486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=O)N(C2=O)C3=CC(=CC=C3)Cl)C=NCCCN4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)[C@H](C(=O)N(C2=O)C3=CC(=CC=C3)Cl)C=NCCCN4C=CN=C4

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/h1-3,5-8,10,12-15,20H,4,9,11H2/t20-/m1/s1