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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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