1-(4-butoxyphenyl)-3-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea

Systemtic Name: 1-(4-butoxyphenyl)-3-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-butoxyphenyl)urea CAS Name: 1-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-butoxyphenyl)urea IUPAC Name: 1-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-butoxyphenyl)urea Traditional Name: 1-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-butoxyphenyl)urea Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCN(C3)C(=O)C)C=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCN(C3)C(=O)C)C=C2

InChI

InChI=1S/C22H27N3O3/c1-3-4-13-28-21-9-7-19(8-10-21)23-22(27)24-20-6-5-17-11-12-25(16(2)26)15-18(17)14-20/h5-10,14H,3-4,11-13,15H2,1-2H3,(H2,23,24,27)