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

Systemtic Name: 3-butyl-1-(3-methylbutyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]urea Openeye Name: 3-butyl-1-isopentyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]urea CAS Name: 3-butyl-1-(3-methylbutyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]urea IUPAC Name: 3-butyl-1-(3-methylbutyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]urea Traditional Name: 3-butyl-1-isoamyl-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:

CCCCNC(=O)N(CCC(C)C)CC(=O)N1CCC2=CC=CC=C2C1C

Isomeric SMILES

CCCCNC(=O)N(CCC(C)C)CC(=O)N1CCC2=CC=CC=C2C1C

InChI

InChI=1S/C22H35N3O2/c1-5-6-13-23-22(27)24(14-11-17(2)3)16-21(26)25-15-12-19-9-7-8-10-20(19)18(25)4/h7-10,17-18H,5-6,11-16H2,1-4H3,(H,23,27)