1-phenethyl-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea

Systemtic Name: 1-phenethyl-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-phenethyl-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea CAS Name: 1-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-phenethylurea IUPAC Name: 1-phenethyl-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Traditional Name: 1-phenethyl-3-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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