1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(4-ethylphenyl)urea

Systemtic Name: 1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(4-ethylphenyl)urea Openeye Name: 1-[[2-(azepan-1-yl)-4-pyridyl]methyl]-3-(4-ethylphenyl)urea CAS Name: 1-[[2-(1-azepanyl)-4-pyridinyl]methyl]-3-(4-ethylphenyl)urea IUPAC Name: 1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(4-ethylphenyl)urea Traditional Name: 1-[[2-(azepan-1-yl)-4-pyridyl]methyl]-3-(4-ethylphenyl)urea Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)NCC2=CC(=NC=C2)N3CCCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)NCC2=CC(=NC=C2)N3CCCCCC3

InChI

InChI=1S/C21H28N4O/c1-2-17-7-9-19(10-8-17)24-21(26)23-16-18-11-12-22-20(15-18)25-13-5-3-4-6-14-25/h7-12,15H,2-6,13-14,16H2,1H3,(H2,23,24,26)