4-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-1,4-oxazepane

Systemtic Name: 4-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-1,4-oxazepane Openeye Name: 4-[3-[(E)-[6-(3-pyridyl)-3,4-dihydro-2H-pyridin-5-ylidene]methyl]phenyl]-1,4-oxazepane CAS Name: 4-[3-[(E)-[6-(3-pyridinyl)-3,4-dihydro-2H-pyridin-5-ylidene]methyl]phenyl]-1,4-oxazepane IUPAC Name: 4-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-1,4-oxazepane Traditional Name: 4-[3-[(E)-[6-(3-pyridyl)-3,4-dihydro-2H-pyridin-5-ylidene]methyl]phenyl]-1,4-oxazepane Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC(=CC=C2)N3CCCOCC3)C(=NC1)C4=CN=CC=C4

Isomeric SMILES

C1C/C(=C\C2=CC(=CC=C2)N3CCCOCC3)/C(=NC1)C4=CN=CC=C4

InChI

InChI=1S/C22H25N3O/c1-5-18(16-21(8-1)25-11-4-13-26-14-12-25)15-19-6-3-10-24-22(19)20-7-2-9-23-17-20/h1-2,5,7-9,15-17H,3-4,6,10-14H2/b19-15+