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

Systemtic Name: 1-pentan-3-yl-3-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(1-ethylpropyl)urea CAS Name: 1-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-pentan-3-ylurea IUPAC Name: 1-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-pentan-3-ylurea Traditional Name: 1-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(1-ethylpropyl)urea Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)NC1=CC2=C(CCN(C2)C(=O)C3=CC=CC=C3)C=C1

Isomeric SMILES

CCC(CC)NC(=O)NC1=CC2=C(CCN(C2)C(=O)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C22H27N3O2/c1-3-19(4-2)23-22(27)24-20-11-10-16-12-13-25(15-18(16)14-20)21(26)17-8-6-5-7-9-17/h5-11,14,19H,3-4,12-13,15H2,1-2H3,(H2,23,24,27)