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

Systemtic Name: 1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(3-methoxyphenyl)urea Openeye Name: 1-[[2-(azepan-1-yl)-4-pyridyl]methyl]-3-(3-methoxyphenyl)urea CAS Name: 1-[[2-(1-azepanyl)-4-pyridinyl]methyl]-3-(3-methoxyphenyl)urea IUPAC Name: 1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(3-methoxyphenyl)urea Traditional Name: 1-[[2-(azepan-1-yl)-4-pyridyl]methyl]-3-(3-methoxyphenyl)urea Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2/c1-26-18-8-6-7-17(14-18)23-20(25)22-15-16-9-10-21-19(13-16)24-11-4-2-3-5-12-24/h6-10,13-14H,2-5,11-12,15H2,1H3,(H2,22,23,25)