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

Systemtic Name: (4S)-2-(2-chlorophenyl)-4-(3-imidazol-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(2-chlorophenyl)-4-(3-imidazol-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(2-chlorophenyl)-4-[3-(1-imidazolyl)propyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(2-chlorophenyl)-4-(3-imidazol-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(2-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=C3Cl)C=NCCCN4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)[C@H](C(=O)N(C2=O)C3=CC=CC=C3Cl)C=NCCCN4C=CN=C4

InChI

InChI=1S/C22H19ClN4O2/c23-19-8-3-4-9-20(19)27-21(28)17-7-2-1-6-16(17)18(22(27)29)14-24-10-5-12-26-13-11-25-15-26/h1-4,6-9,11,13-15,18H,5,10,12H2/t18-/m1/s1