1-(4-methylphenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea

Systemtic Name: 1-(4-methylphenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(p-tolyl)urea CAS Name: 1-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methylphenyl)urea IUPAC Name: 1-(4-methylphenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(p-tolyl)urea Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2

InChI

InChI=1S/C21H25N3O2/c1-14(2)20(25)24-11-10-16-6-9-19(12-17(16)13-24)23-21(26)22-18-7-4-15(3)5-8-18/h4-9,12,14H,10-11,13H2,1-3H3,(H2,22,23,26)