1-cycloheptyl-1-[(4-pyrrol-1-ylphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea

Systemtic Name: 1-cycloheptyl-1-[(4-pyrrol-1-ylphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea Openeye Name: 1-cycloheptyl-1-[(4-pyrrol-1-ylphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea CAS Name: 1-cycloheptyl-1-[[4-(1-pyrrolyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea IUPAC Name: 1-cycloheptyl-1-[(4-pyrrol-1-ylphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea Traditional Name: 1-cycloheptyl-3-mesityl-1-(4-pyrrol-1-ylbenzyl)urea Formula: C28H35N3O MolecularWeight: 429.597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)N(CC2=CC=C(C=C2)N3C=CC=C3)C4CCCCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)N(CC2=CC=C(C=C2)N3C=CC=C3)C4CCCCCC4)C

InChI

InChI=1S/C28H35N3O/c1-21-18-22(2)27(23(3)19-21)29-28(32)31(26-10-6-4-5-7-11-26)20-24-12-14-25(15-13-24)30-16-8-9-17-30/h8-9,12-19,26H,4-7,10-11,20H2,1-3H3,(H,29,32)