3-[4-(2-ethylphenyl)-2,6,7-trimethyl-1-oxidanylidene-isoquinolin-3-yl]-1-methyl-1-(phenylmethyl)urea

Systemtic Name: 3-[4-(2-ethylphenyl)-2,6,7-trimethyl-1-oxidanylidene-isoquinolin-3-yl]-1-methyl-1-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[4-(2-ethylphenyl)-2,6,7-trimethyl-1-oxo-3-isoquinolyl]-1-methyl-urea CAS Name: 3-[4-(2-ethylphenyl)-2,6,7-trimethyl-1-oxo-3-isoquinolinyl]-1-methyl-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[4-(2-ethylphenyl)-2,6,7-trimethyl-1-oxoisoquinolin-3-yl]-1-methylurea Traditional Name: 1-benzyl-3-[4-(2-ethylphenyl)-1-keto-2,6,7-trimethyl-3-isoquinolyl]-1-methyl-urea Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=C(N(C(=O)C3=CC(=C(C=C32)C)C)C)NC(=O)N(C)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1C2=C(N(C(=O)C3=CC(=C(C=C32)C)C)C)NC(=O)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O2/c1-6-22-14-10-11-15-23(22)26-24-16-19(2)20(3)17-25(24)28(33)32(5)27(26)30-29(34)31(4)18-21-12-8-7-9-13-21/h7-17H,6,18H2,1-5H3,(H,30,34)