1-(2-ethyl-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)-3-(phenylmethyl)urea

Systemtic Name: 1-(2-ethyl-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(2-ethyl-6,7-dimethyl-1-oxo-4-phenyl-3-isoquinolyl)urea CAS Name: 1-(2-ethyl-6,7-dimethyl-1-oxo-4-phenyl-3-isoquinolinyl)-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-(2-ethyl-6,7-dimethyl-1-oxo-4-phenylisoquinolin-3-yl)urea Traditional Name: 1-benzyl-3-(2-ethyl-1-keto-6,7-dimethyl-4-phenyl-3-isoquinolyl)urea Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC(=C(C=C2C1=O)C)C)C3=CC=CC=C3)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(C2=CC(=C(C=C2C1=O)C)C)C3=CC=CC=C3)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2/c1-4-30-25(29-27(32)28-17-20-11-7-5-8-12-20)24(21-13-9-6-10-14-21)22-15-18(2)19(3)16-23(22)26(30)31/h5-16H,4,17H2,1-3H3,(H2,28,29,32)