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

Systemtic Name: 3-(3-cyanophenyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1-(2-methylpropyl)urea Openeye Name: 3-(3-cyanophenyl)-1-isobutyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]urea CAS Name: 3-(3-cyanophenyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(2-methylpropyl)urea IUPAC Name: 3-(3-cyanophenyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(2-methylpropyl)urea Traditional Name: 3-(3-cyanophenyl)-1-isobutyl-1-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]urea Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2CCN1C(=O)CN(CC(C)C)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1C2=CC=CC=C2CCN1C(=O)CN(CC(C)C)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C24H28N4O2/c1-17(2)15-27(24(30)26-21-9-6-7-19(13-21)14-25)16-23(29)28-12-11-20-8-4-5-10-22(20)18(28)3/h4-10,13,17-18H,11-12,15-16H2,1-3H3,(H,26,30)