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

Systemtic Name: 3-tert-butyl-1-pentyl-1-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea Openeye Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-tert-butyl-1-pentyl-urea CAS Name: 3-tert-butyl-1-pentyl-1-[[1-(phenylmethyl)-2-pyrrolyl]methyl]urea IUPAC Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-tert-butyl-1-pentylurea Traditional Name: 1-amyl-1-[(1-benzylpyrrol-2-yl)methyl]-3-tert-butyl-urea Formula: C22H33N3O MolecularWeight: 355.51692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)NC(C)(C)C

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)NC(C)(C)C

InChI

InChI=1S/C22H33N3O/c1-5-6-10-15-25(21(26)23-22(2,3)4)18-20-14-11-16-24(20)17-19-12-8-7-9-13-19/h7-9,11-14,16H,5-6,10,15,17-18H2,1-4H3,(H,23,26)