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

Systemtic Name: 1-(4-butoxyphenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-(4-butoxyphenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-(4-butoxyphenyl)-3-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-(4-butoxyphenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(4-butoxyphenyl)-3-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C24H31N3O3 MolecularWeight: 409.52124

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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)C)C=C2

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3/c1-4-5-14-30-22-10-8-20(9-11-22)25-24(29)26-21-7-6-18-12-13-27(16-19(18)15-21)23(28)17(2)3/h6-11,15,17H,4-5,12-14,16H2,1-3H3,(H2,25,26,29)