1-[(4-tert-butylphenyl)methyl]-1-(2-oxidanylideneazepan-3-yl)-3-(4-propan-2-ylphenyl)urea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-1-(2-oxidanylideneazepan-3-yl)-3-(4-propan-2-ylphenyl)urea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-(4-isopropylphenyl)-1-(2-oxoazepan-3-yl)urea CAS Name: 1-[(4-tert-butylphenyl)methyl]-1-(2-oxo-3-azepanyl)-3-(4-propan-2-ylphenyl)urea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-1-(2-oxoazepan-3-yl)-3-(4-propan-2-ylphenyl)urea Traditional Name: 1-(4-tert-butylbenzyl)-1-(2-ketoazepan-3-yl)-3-p-cumenyl-urea Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)C(C)(C)C)C3CCCCNC3=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)C(C)(C)C)C3CCCCNC3=O

InChI

InChI=1S/C27H37N3O2/c1-19(2)21-11-15-23(16-12-21)29-26(32)30(24-8-6-7-17-28-25(24)31)18-20-9-13-22(14-10-20)27(3,4)5/h9-16,19,24H,6-8,17-18H2,1-5H3,(H,28,31)(H,29,32)