1-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-(4-propan-2-ylphenyl)urea

Systemtic Name: 1-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-(4-propan-2-ylphenyl)urea Openeye Name: 1-(4-isopropylphenyl)-3-[[5-(3-methoxyphenyl)-8-isoquinolyl]methyl]urea CAS Name: 1-[[5-(3-methoxyphenyl)-8-isoquinolinyl]methyl]-3-(4-propan-2-ylphenyl)urea IUPAC Name: 1-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-(4-propan-2-ylphenyl)urea Traditional Name: 1-[[5-(3-methoxyphenyl)-8-isoquinolyl]methyl]-3-p-cumenyl-urea Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)NCC2=C3C=NC=CC3=C(C=C2)C4=CC(=CC=C4)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)NCC2=C3C=NC=CC3=C(C=C2)C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H27N3O2/c1-18(2)19-7-10-22(11-8-19)30-27(31)29-16-21-9-12-24(25-13-14-28-17-26(21)25)20-5-4-6-23(15-20)32-3/h4-15,17-18H,16H2,1-3H3,(H2,29,30,31)