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

Systemtic Name: 1-(phenylmethyl)-3-[2,6,7-trimethyl-4-(3-methylphenyl)-1-oxidanylidene-isoquinolin-3-yl]urea Openeye Name: 1-benzyl-3-[2,6,7-trimethyl-4-(m-tolyl)-1-oxo-3-isoquinolyl]urea CAS Name: 1-(phenylmethyl)-3-[2,6,7-trimethyl-4-(3-methylphenyl)-1-oxo-3-isoquinolinyl]urea IUPAC Name: 1-benzyl-3-[2,6,7-trimethyl-4-(3-methylphenyl)-1-oxoisoquinolin-3-yl]urea Traditional Name: 1-benzyl-3-[1-keto-2,6,7-trimethyl-4-(m-tolyl)-3-isoquinolyl]urea Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)C)C)C)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)C)C)C)NC(=O)NCC4=CC=CC=C4

InChI

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