(4S)-2-(2,4-dimethylphenyl)-4-[(4-oxidanylcyclohexyl)iminomethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(2,4-dimethylphenyl)-4-[(4-oxidanylcyclohexyl)iminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(2,4-dimethylphenyl)-4-[(4-hydroxycyclohexyl)iminomethyl]-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(2,4-dimethylphenyl)-4-[(4-hydroxycyclohexyl)iminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(2,4-dimethylphenyl)-4-[(4-hydroxycyclohexyl)iminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(2,4-dimethylphenyl)-4-[(4-hydroxycyclohexyl)iminomethyl]-4H-isoquinoline-1,3-quinone Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NC4CCC(CC4)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NC4CCC(CC4)O)C

InChI

InChI=1S/C24H26N2O3/c1-15-7-12-22(16(2)13-15)26-23(28)20-6-4-3-5-19(20)21(24(26)29)14-25-17-8-10-18(27)11-9-17/h3-7,12-14,17-18,21,27H,8-11H2,1-2H3/t17?,18?,21-/m1/s1