3-butyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enyl-urea

Systemtic Name: 3-butyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enyl-urea Openeye Name: 1-allyl-3-butyl-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 3-butyl-1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-1-prop-2-enylurea IUPAC Name: 3-butyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enylurea Traditional Name: 1-allyl-3-butyl-1-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C21H29N3O MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CC=C)CC1=CC=CN1CC2=CC=CC=C2C

Isomeric SMILES

CCCCNC(=O)N(CC=C)CC1=CC=CN1CC2=CC=CC=C2C

InChI

InChI=1S/C21H29N3O/c1-4-6-13-22-21(25)24(14-5-2)17-20-12-9-15-23(20)16-19-11-8-7-10-18(19)3/h5,7-12,15H,2,4,6,13-14,16-17H2,1,3H3,(H,22,25)