1-(3,4-dimethylphenyl)-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(3,4-dimethylphenyl)-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea CAS Name: 1-(3,4-dimethylphenyl)-3-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-(3,4-dimethylphenyl)-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Traditional Name: 1-(3,4-dimethylphenyl)-3-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H25N3O2/c1-4-20(25)24-10-9-16-6-8-19(12-17(16)13-24)23-21(26)22-18-7-5-14(2)15(3)11-18/h5-8,11-12H,4,9-10,13H2,1-3H3,(H2,22,23,26)