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

Systemtic Name: 1-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-1,4-diazepane Openeye Name: 1-[4-[(E)-[6-(3-pyridyl)-3,4-dihydro-2H-pyridin-5-ylidene]methyl]phenyl]-1,4-diazepane CAS Name: 1-[4-[(E)-[6-(3-pyridinyl)-3,4-dihydro-2H-pyridin-5-ylidene]methyl]phenyl]-1,4-diazepane IUPAC Name: 1-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-1,4-diazepane Traditional Name: 1-[4-[(E)-[6-(3-pyridyl)-3,4-dihydro-2H-pyridin-5-ylidene]methyl]phenyl]-1,4-diazepane Formula: C22H26N4 MolecularWeight: 346.46864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC=C(C=C2)N3CCCNCC3)C(=NC1)C4=CN=CC=C4

Isomeric SMILES

C1C/C(=C\C2=CC=C(C=C2)N3CCCNCC3)/C(=NC1)C4=CN=CC=C4

InChI

InChI=1S/C22H26N4/c1-5-20(17-24-10-1)22-19(4-2-12-25-22)16-18-6-8-21(9-7-18)26-14-3-11-23-13-15-26/h1,5-10,16-17,23H,2-4,11-15H2/b19-16+