2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N'-bis(4-methylphenyl)propanediamide

Systemtic Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N'-bis(4-methylphenyl)propanediamide Openeye Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N'-bis(p-tolyl)propanediamide CAS Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N'-bis(4-methylphenyl)propanediamide IUPAC Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N'-bis(4-methylphenyl)propanediamide Traditional Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N'-bis(p-tolyl)malonamide Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=NC(CC3=CC=CC=C32)(C)C)C(=O)NC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=NC(CC3=CC=CC=C32)(C)C)C(=O)NC4=CC=C(C=C4)C

InChI

InChI=1S/C28H29N3O2/c1-18-9-13-21(14-10-18)29-26(32)24(27(33)30-22-15-11-19(2)12-16-22)25-23-8-6-5-7-20(23)17-28(3,4)31-25/h5-16,24H,17H2,1-4H3,(H,29,32)(H,30,33)