3-tert-butyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1-pentyl-urea

Systemtic Name: 3-tert-butyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1-pentyl-urea Openeye Name: 3-tert-butyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-1-pentyl-urea CAS Name: 3-tert-butyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-pentylurea IUPAC Name: 3-tert-butyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-pentylurea Traditional Name: 1-amyl-3-tert-butyl-1-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]urea Formula: C22H35N3O2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)NC(C)(C)C

Isomeric SMILES

CCCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)NC(C)(C)C

InChI

InChI=1S/C22H35N3O2/c1-6-7-10-14-24(21(27)23-22(3,4)5)16-20(26)25-15-13-18-11-8-9-12-19(18)17(25)2/h8-9,11-12,17H,6-7,10,13-16H2,1-5H3,(H,23,27)