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

Systemtic Name: 1-tert-butyl-3-butyl-1-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea Openeye Name: 1-[(1-benzylpyrrol-2-yl)methyl]-1-tert-butyl-3-butyl-urea CAS Name: 1-tert-butyl-3-butyl-1-[[1-(phenylmethyl)-2-pyrrolyl]methyl]urea IUPAC Name: 1-[(1-benzylpyrrol-2-yl)methyl]-1-tert-butyl-3-butylurea Traditional Name: 1-[(1-benzylpyrrol-2-yl)methyl]-1-tert-butyl-3-butyl-urea Formula: C21H31N3O MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CCCCNC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C21H31N3O/c1-5-6-14-22-20(25)24(21(2,3)4)17-19-13-10-15-23(19)16-18-11-8-7-9-12-18/h7-13,15H,5-6,14,16-17H2,1-4H3,(H,22,25)