1-[2-(4-methoxyphenyl)ethyl]-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea

Systemtic Name: 1-[2-(4-methoxyphenyl)ethyl]-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-[2-(4-methoxyphenyl)ethyl]-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea CAS Name: 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-[2-(4-methoxyphenyl)ethyl]-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Traditional Name: 1-[2-(4-methoxyphenyl)ethyl]-3-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCCC3=CC=C(C=C3)OC

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O3/c1-3-21(26)25-13-11-17-6-7-19(14-18(17)15-25)24-22(27)23-12-10-16-4-8-20(28-2)9-5-16/h4-9,14H,3,10-13,15H2,1-2H3,(H2,23,24,27)