1-butyl-3-tert-butyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]urea

Systemtic Name: 1-butyl-3-tert-butyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 1-butyl-3-tert-butyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]urea CAS Name: 1-butyl-3-tert-butyl-1-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 1-butyl-3-tert-butyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1-butyl-3-tert-butyl-1-[[1-(2-chlorobenzyl)pyrrol-2-yl]methyl]urea Formula: C21H30ClN3O MolecularWeight: 375.9354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC=C2Cl)C(=O)NC(C)(C)C

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC=C2Cl)C(=O)NC(C)(C)C

InChI

InChI=1S/C21H30ClN3O/c1-5-6-13-25(20(26)23-21(2,3)4)16-18-11-9-14-24(18)15-17-10-7-8-12-19(17)22/h7-12,14H,5-6,13,15-16H2,1-4H3,(H,23,26)