1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-propyl-urea

Systemtic Name: 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-propyl-urea Openeye Name: 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-propyl-urea CAS Name: 1-[[1-[(2,5-dimethylphenyl)methyl]-2-pyrrolyl]methyl]-3-propylurea IUPAC Name: 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-propylurea Traditional Name: 1-[[1-(2,5-dimethylbenzyl)pyrrol-2-yl]methyl]-3-propyl-urea Formula: C18H25N3O MolecularWeight: 299.4106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NCC1=CC=CN1CC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCNC(=O)NCC1=CC=CN1CC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C18H25N3O/c1-4-9-19-18(22)20-12-17-6-5-10-21(17)13-16-11-14(2)7-8-15(16)3/h5-8,10-11H,4,9,12-13H2,1-3H3,(H2,19,20,22)