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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c1-15(2)20(25)24-11-10-17-8-9-19(12-18(17)14-24)23-21(26)22-13-16-6-4-3-5-7-16/h3-9,12,15H,10-11,13-14H2,1-2H3,(H2,22,23,26)