1-[(2,4-dimethylphenyl)methyl]-1-methyl-3-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]urea

Systemtic Name: 1-[(2,4-dimethylphenyl)methyl]-1-methyl-3-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]urea Openeye Name: 1-[(2,4-dimethylphenyl)methyl]-1-methyl-3-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]urea CAS Name: 1-[(2,4-dimethylphenyl)methyl]-1-methyl-3-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]urea IUPAC Name: 1-[(2,4-dimethylphenyl)methyl]-1-methyl-3-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]urea Traditional Name: 1-(2,4-dimethylbenzyl)-1-methyl-3-[(2-pyrrolidino-4-pyridyl)methyl]urea Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)NCC2=CC(=NC=C2)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)NCC2=CC(=NC=C2)N3CCCC3)C

InChI

InChI=1S/C21H28N4O/c1-16-6-7-19(17(2)12-16)15-24(3)21(26)23-14-18-8-9-22-20(13-18)25-10-4-5-11-25/h6-9,12-13H,4-5,10-11,14-15H2,1-3H3,(H,23,26)