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

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

CC1C2=CC=CC=C2CCN1C(=O)CN(CCC(C)C)C(=O)NC3=CC=CC=C3C

Isomeric SMILES

CC1C2=CC=CC=C2CCN1C(=O)CN(CCC(C)C)C(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C25H33N3O2/c1-18(2)13-15-27(25(30)26-23-12-8-5-9-19(23)3)17-24(29)28-16-14-21-10-6-7-11-22(21)20(28)4/h5-12,18,20H,13-17H2,1-4H3,(H,26,30)