4-[[(2S)-5-methylhexan-2-yl]iminomethyl]-2-(phenylmethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[[(2S)-5-methylhexan-2-yl]iminomethyl]-2-(phenylmethyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-benzyl-4-[[(1S)-1,4-dimethylpentyl]iminomethyl]-4H-isoquinoline-1,3-dione CAS Name: 4-[[(2S)-5-methylhexan-2-yl]iminomethyl]-2-(phenylmethyl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-benzyl-4-[[(2S)-5-methylhexan-2-yl]iminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-benzyl-4-[[(1S)-1,4-dimethylpentyl]iminomethyl]-4H-isoquinoline-1,3-quinone Formula: C24H28N2O2 MolecularWeight: 376.49132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)N=CC1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](CCC(C)C)N=CC1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O2/c1-17(2)13-14-18(3)25-15-22-20-11-7-8-12-21(20)23(27)26(24(22)28)16-19-9-5-4-6-10-19/h4-12,15,17-18,22H,13-14,16H2,1-3H3/t18-,22?/m0/s1