6-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]pyridine-3-carbonitrile

Systemtic Name: 6-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]pyridine-3-carbonitrile Openeye Name: 6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]pyridine-3-carbonitrile CAS Name: 6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-pyridinecarbonitrile IUPAC Name: 6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]pyridine-3-carbonitrile Traditional Name: 6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]nicotinonitrile Formula: C16H14ClN3O2 MolecularWeight: 315.75426

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC3=NC=C(C=C3)C#N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC3=NC=C(C=C3)C#N)Cl)OC1

InChI

InChI=1S/C16H14ClN3O2/c17-13-6-12(7-14-16(13)22-5-1-4-21-14)10-20-15-3-2-11(8-18)9-19-15/h2-3,6-7,9H,1,4-5,10H2,(H,19,20)