1-(4-tert-butylphenyl)-3-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea

Systemtic Name: 1-(4-tert-butylphenyl)-3-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-tert-butylphenyl)urea CAS Name: 1-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-tert-butylphenyl)urea IUPAC Name: 1-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-tert-butylphenyl)urea Traditional Name: 1-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-tert-butylphenyl)urea Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CC=C4)C=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C27H29N3O2/c1-27(2,3)22-10-13-23(14-11-22)28-26(32)29-24-12-9-19-15-16-30(18-21(19)17-24)25(31)20-7-5-4-6-8-20/h4-14,17H,15-16,18H2,1-3H3,(H2,28,29,32)