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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O/c1-2-8-19(18-9-4-3-5-10-18)24-21(26)23-16-17-11-12-22-20(15-17)25-13-6-7-14-25/h3-5,9-12,15,19H,2,6-8,13-14,16H2,1H3,(H2,23,24,26)