1-(4-tert-butylphenyl)-3-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea

Systemtic Name: 1-(4-tert-butylphenyl)-3-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-tert-butylphenyl)urea CAS Name: 1-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-tert-butylphenyl)urea IUPAC Name: 1-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-tert-butylphenyl)urea Traditional Name: 1-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-tert-butylphenyl)urea Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2/c1-15(26)25-12-11-16-5-8-20(13-17(16)14-25)24-21(27)23-19-9-6-18(7-10-19)22(2,3)4/h5-10,13H,11-12,14H2,1-4H3,(H2,23,24,27)