4-[[(2S)-butan-2-yl]iminomethyl]-2-(3-chlorophenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[[(2S)-butan-2-yl]iminomethyl]-2-(3-chlorophenyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(3-chlorophenyl)-4-[[(1S)-1-methylpropyl]iminomethyl]-4H-isoquinoline-1,3-dione CAS Name: 4-[[(2S)-butan-2-yl]iminomethyl]-2-(3-chlorophenyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-[[(2S)-butan-2-yl]iminomethyl]-2-(3-chlorophenyl)-4H-isoquinoline-1,3-dione Traditional Name: 2-(3-chlorophenyl)-4-[[(1S)-1-methylpropyl]iminomethyl]-4H-isoquinoline-1,3-quinone Formula: C20H19ClN2O2 MolecularWeight: 354.83006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC[C@H](C)N=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H19ClN2O2/c1-3-13(2)22-12-18-16-9-4-5-10-17(16)19(24)23(20(18)25)15-8-6-7-14(21)11-15/h4-13,18H,3H2,1-2H3/t13-,18?/m0/s1