1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-pyridin-3-yl-urea

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-pyridin-3-yl-urea Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-pyridyl)urea CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-pyridinyl)urea IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-pyridin-3-ylurea Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-pyridyl)urea Formula: C16H16ClN3O3 MolecularWeight: 333.76954

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)NC3=CN=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)NC3=CN=CC=C3)Cl)OC1

InChI

InChI=1S/C16H16ClN3O3/c17-13-7-11(8-14-15(13)23-6-2-5-22-14)9-19-16(21)20-12-3-1-4-18-10-12/h1,3-4,7-8,10H,2,5-6,9H2,(H2,19,20,21)