3-ethyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea

Systemtic Name: 3-ethyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea Openeye Name: 3-ethyl-1-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 3-ethyl-1-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-1-pentylurea IUPAC Name: 3-ethyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea Traditional Name: 1-amyl-3-ethyl-1-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C21H31N3O MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O/c1-4-6-7-13-24(21(25)22-5-2)17-20-12-9-14-23(20)16-19-11-8-10-18(3)15-19/h8-12,14-15H,4-7,13,16-17H2,1-3H3,(H,22,25)