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

Systemtic Name: 1-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-phenethyl-urea Openeye Name: 1-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-phenethyl-urea CAS Name: 1-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-phenethylurea IUPAC Name: 1-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-phenethylurea Traditional Name: 1-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenethyl-urea Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-16(2)21(26)25-13-11-18-8-9-20(14-19(18)15-25)24-22(27)23-12-10-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H2,23,24,27)