1-[(4-tert-butylphenyl)-phenyl-methyl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[(4-tert-butylphenyl)-phenyl-methyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[(4-tert-butylphenyl)-phenyl-methyl]-3-(5-isoquinolyl)urea CAS Name: 1-[(4-tert-butylphenyl)-phenylmethyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[(4-tert-butylphenyl)-phenylmethyl]-3-isoquinolin-5-ylurea Traditional Name: 1-[(4-tert-butylphenyl)-phenyl-methyl]-3-(5-isoquinolyl)urea Formula: C27H27N3O MolecularWeight: 409.52278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C27H27N3O/c1-27(2,3)22-14-12-20(13-15-22)25(19-8-5-4-6-9-19)30-26(31)29-24-11-7-10-21-18-28-17-16-23(21)24/h4-18,25H,1-3H3,(H2,29,30,31)