6-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]nicotinonitrile Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=C(C=C2)C#N)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(N(C1)C2=NC=C(C=C2)C#N)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H19N3O2/c20-12-14-4-7-19(21-13-14)22-8-1-3-16(22)15-5-6-17-18(11-15)24-10-2-9-23-17/h4-7,11,13,16H,1-3,8-10H2