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

Systemtic Name: 1-pentan-3-yl-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(1-ethylpropyl)-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-pentan-3-ylurea IUPAC Name: 1-pentan-3-yl-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Traditional Name: 1-(1-ethylpropyl)-3-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C18H27N3O2 MolecularWeight: 317.42588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)NC1=CC2=C(CCN(C2)C(=O)CC)C=C1

Isomeric SMILES

CCC(CC)NC(=O)NC1=CC2=C(CCN(C2)C(=O)CC)C=C1

InChI

InChI=1S/C18H27N3O2/c1-4-15(5-2)19-18(23)20-16-8-7-13-9-10-21(17(22)6-3)12-14(13)11-16/h7-8,11,15H,4-6,9-10,12H2,1-3H3,(H2,19,20,23)