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

Systemtic Name: 1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(4-ethoxyphenyl)urea Openeye Name: 1-[[2-(azepan-1-yl)-4-pyridyl]methyl]-3-(4-ethoxyphenyl)urea CAS Name: 1-[[2-(1-azepanyl)-4-pyridinyl]methyl]-3-(4-ethoxyphenyl)urea IUPAC Name: 1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(4-ethoxyphenyl)urea Traditional Name: 1-[[2-(azepan-1-yl)-4-pyridyl]methyl]-3-p-phenetyl-urea Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)NCC2=CC(=NC=C2)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)NCC2=CC(=NC=C2)N3CCCCCC3

InChI

InChI=1S/C21H28N4O2/c1-2-27-19-9-7-18(8-10-19)24-21(26)23-16-17-11-12-22-20(15-17)25-13-5-3-4-6-14-25/h7-12,15H,2-6,13-14,16H2,1H3,(H2,23,24,26)