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

Systemtic Name: 3-[4-(2-ethylphenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]-1-methyl-1-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[4-(2-ethylphenyl)-2-methyl-1-oxo-3-isoquinolyl]-1-methyl-urea CAS Name: 3-[4-(2-ethylphenyl)-2-methyl-1-oxo-3-isoquinolinyl]-1-methyl-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[4-(2-ethylphenyl)-2-methyl-1-oxoisoquinolin-3-yl]-1-methylurea Traditional Name: 1-benzyl-3-[4-(2-ethylphenyl)-1-keto-2-methyl-3-isoquinolyl]-1-methyl-urea Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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