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(4S)-4-(2-dimethylaminoethyliminomethyl)-2-(3,4-dimethylphenyl)-4H-isoquinoline-1,3-dione

(4S)-4-(2-dimethylaminoethyliminomethyl)-2-(3,4-dimethylphenyl)-4H-isoquinoline-1,3-dione

Systemtic Name:(4S)-4-(2-dimethylaminoethyliminomethyl)-2-(3,4-dimethylphenyl)-4H-isoquinoline-1,3-dione
Openeye Name:(4S)-4-(2-dimethylaminoethyliminomethyl)-2-(3,4-dimethylphenyl)-4H-isoquinoline-1,3-dione
CAS Name:(4S)-4-(2-dimethylaminoethyliminomethyl)-2-(3,4-dimethylphenyl)-4H-isoquinoline-1,3-dione
IUPAC Name:(4S)-4-(2-dimethylaminoethyliminomethyl)-2-(3,4-dimethylphenyl)-4H-isoquinoline-1,3-dione
Traditional Name:(4S)-4-(2-dimethylaminoethyliminomethyl)-2-(3,4-dimethylphenyl)-4H-isoquinoline-1,3-quinone
Formula: C22H25N3O2
MolecularWeight: 363.4528
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCN(C)C)C


Isomeric SMILES

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


InChI

InChI=1S/C22H25N3O2/c1-15-9-10-17(13-16(15)2)25-21(26)19-8-6-5-7-18(19)20(22(25)27)14-23-11-12-24(3)4/h5-10,13-14,20H,11-12H2,1-4H3/t20-/m1/s1


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