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

Systemtic Name: 1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(1,3-benzodioxol-5-yl)urea Openeye Name: 1-[[2-(azepan-1-yl)-4-pyridyl]methyl]-3-(1,3-benzodioxol-5-yl)urea CAS Name: 1-[[2-(1-azepanyl)-4-pyridinyl]methyl]-3-(1,3-benzodioxol-5-yl)urea IUPAC Name: 1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(1,3-benzodioxol-5-yl)urea Traditional Name: 1-[[2-(azepan-1-yl)-4-pyridyl]methyl]-3-(1,3-benzodioxol-5-yl)urea Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=CC(=C2)CNC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)C2=NC=CC(=C2)CNC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24N4O3/c25-20(23-16-5-6-17-18(12-16)27-14-26-17)22-13-15-7-8-21-19(11-15)24-9-3-1-2-4-10-24/h5-8,11-12H,1-4,9-10,13-14H2,(H2,22,23,25)