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

Systemtic Name: 1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea Openeye Name: 1-[[2-(azepan-1-yl)-4-pyridyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea CAS Name: 1-[[2-(1-azepanyl)-4-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea IUPAC Name: 1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea Traditional Name: 1-[[2-(azepan-1-yl)-4-pyridyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)NCC2=CC(=NC=C2)N3CCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)NCC2=CC(=NC=C2)N3CCCCCC3

InChI

InChI=1S/C22H30N4O4/c1-28-18-13-17(14-19(29-2)21(18)30-3)25-22(27)24-15-16-8-9-23-20(12-16)26-10-6-4-5-7-11-26/h8-9,12-14H,4-7,10-11,15H2,1-3H3,(H2,24,25,27)