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1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(2,5-dimethoxyphenyl)urea

Systemtic Name:	1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(2,5-dimethoxyphenyl)urea
Openeye Name:	1-[[2-(azepan-1-yl)-4-pyridyl]methyl]-3-(2,5-dimethoxyphenyl)urea
CAS Name:	1-[[2-(1-azepanyl)-4-pyridinyl]methyl]-3-(2,5-dimethoxyphenyl)urea
IUPAC Name:	1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(2,5-dimethoxyphenyl)urea
Traditional Name:	1-[[2-(azepan-1-yl)-4-pyridyl]methyl]-3-(2,5-dimethoxyphenyl)urea
Formula:	C₂₁H₂₈N₄O₃
MolecularWeight:	384.47202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)NCC2=CC(=NC=C2)N3CCCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)NCC2=CC(=NC=C2)N3CCCCCC3

InChI

InChI=1S/C21H28N4O3/c1-27-17-7-8-19(28-2)18(14-17)24-21(26)23-15-16-9-10-22-20(13-16)25-11-5-3-4-6-12-25/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H2,23,24,26)

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