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

Systemtic Name: 4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-1,4-oxazepane Openeye Name: 4-[4-[(E)-[6-(3-pyridyl)-3,4-dihydro-2H-pyridin-5-ylidene]methyl]phenyl]-1,4-oxazepane CAS Name: 4-[4-[(E)-[6-(3-pyridinyl)-3,4-dihydro-2H-pyridin-5-ylidene]methyl]phenyl]-1,4-oxazepane IUPAC Name: 4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-1,4-oxazepane Traditional Name: 4-[4-[(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=C(C=C2)N3CCCOCC3)C(=NC1)C4=CN=CC=C4

Isomeric SMILES

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

InChI

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