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

Systemtic Name: 1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3-(2-methylphenyl)-1-pentyl-urea Openeye Name: 1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(o-tolyl)-1-pentyl-urea CAS Name: 1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-methylphenyl)-1-pentylurea IUPAC Name: 1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-methylphenyl)-1-pentylurea Traditional Name: 1-amyl-1-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(o-tolyl)urea Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C25H33N3O2/c1-4-5-10-16-27(25(30)26-23-14-9-6-11-19(23)2)18-24(29)28-17-15-21-12-7-8-13-22(21)20(28)3/h6-9,11-14,20H,4-5,10,15-18H2,1-3H3,(H,26,30)