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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)NCC2=CC(=NC=C2)N3CCCC3

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)NCC2=CC(=NC=C2)N3CCCC3

InChI

InChI=1S/C21H28N4O/c1-17(9-10-18-7-3-2-4-8-18)24-21(26)23-16-19-11-12-22-20(15-19)25-13-5-6-14-25/h2-4,7-8,11-12,15,17H,5-6,9-10,13-14,16H2,1H3,(H2,23,24,26)