N-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: N-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[2-(3,5-dimethylanilino)-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[2-(3,5-dimethylanilino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[2-(3,5-dimethylanilino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[2-(3,5-dimethylanilino)-2-keto-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CNC(=O)C2CC3=CC=CC=C3CN2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CNC(=O)C2CC3=CC=CC=C3CN2)C

InChI

InChI=1S/C20H23N3O2/c1-13-7-14(2)9-17(8-13)23-19(24)12-22-20(25)18-10-15-5-3-4-6-16(15)11-21-18/h3-9,18,21H,10-12H2,1-2H3,(H,22,25)(H,23,24)