1-(cyclohexylmethyl)-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)urea

Systemtic Name: 1-(cyclohexylmethyl)-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)urea Openeye Name: 1-(cyclohexylmethyl)-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)urea CAS Name: 1-(cyclohexylmethyl)-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)urea IUPAC Name: 1-(cyclohexylmethyl)-3-(2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)urea Traditional Name: 1-(cyclohexylmethyl)-3-(1-keto-2,6,7-trimethyl-4-phenyl-3-isoquinolyl)urea Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)NCC3CCCCC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)NCC3CCCCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H31N3O2/c1-17-14-21-22(15-18(17)2)25(30)29(3)24(23(21)20-12-8-5-9-13-20)28-26(31)27-16-19-10-6-4-7-11-19/h5,8-9,12-15,19H,4,6-7,10-11,16H2,1-3H3,(H2,27,28,31)