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

Systemtic Name: 1-(4-tert-butylphenyl)-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(4-tert-butylphenyl)-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea CAS Name: 1-(4-tert-butylphenyl)-3-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-(4-tert-butylphenyl)-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Traditional Name: 1-(4-tert-butylphenyl)-3-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C23H29N3O2 MolecularWeight: 379.49526

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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)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2/c1-5-21(27)26-13-12-16-6-9-20(14-17(16)15-26)25-22(28)24-19-10-7-18(8-11-19)23(2,3)4/h6-11,14H,5,12-13,15H2,1-4H3,(H2,24,25,28)