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

Systemtic Name: 1-(4-butoxyphenyl)-3-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-butoxyphenyl)urea CAS Name: 1-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-butoxyphenyl)urea IUPAC Name: 1-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-butoxyphenyl)urea Traditional Name: 1-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-butoxyphenyl)urea Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CC=C4)C=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C27H29N3O3/c1-2-3-17-33-25-13-11-23(12-14-25)28-27(32)29-24-10-9-20-15-16-30(19-22(20)18-24)26(31)21-7-5-4-6-8-21/h4-14,18H,2-3,15-17,19H2,1H3,(H2,28,29,32)