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

Systemtic Name: 1-(4-butoxyphenyl)-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(4-butoxyphenyl)-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea CAS Name: 1-(4-butoxyphenyl)-3-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-(4-butoxyphenyl)-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Traditional Name: 1-(4-butoxyphenyl)-3-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-3-5-14-29-21-10-8-19(9-11-21)24-23(28)25-20-7-6-17-12-13-26(22(27)4-2)16-18(17)15-20/h6-11,15H,3-5,12-14,16H2,1-2H3,(H2,24,25,28)