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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)N(C)CC3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)N(C)CC3=CC=CC=C3)C4=CC=CC=C4)C

InChI

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