1-[(1S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-1-(3-phenoxyphenyl)propyl]urea

Systemtic Name: 1-[(1S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-1-(3-phenoxyphenyl)propyl]urea Openeye Name: [(1S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea CAS Name: [(1S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea IUPAC Name: [(1S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea Traditional Name: [(1S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-1-(3-phenoxyphenyl)propyl]urea Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CC(C3=CC(=CC=C3)OC4=CC=CC=C4)NC(=O)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C[C@@H](C3=CC(=CC=C3)OC4=CC=CC=C4)NC(=O)N

InChI

InChI=1S/C25H25N3O3/c26-25(30)27-23(16-24(29)28-14-13-18-7-4-5-8-20(18)17-28)19-9-6-12-22(15-19)31-21-10-2-1-3-11-21/h1-12,15,23H,13-14,16-17H2,(H3,26,27,30)/t23-/m0/s1