1,4-bis[5-(4-methylphenyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1,4-bis[5-(4-methylphenyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1,4-bis[5-(p-tolyl)-2-pyridyl]-1,4-diazepane CAS Name: 1,4-bis[5-(4-methylphenyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1,4-bis[5-(4-methylphenyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1,4-bis[5-(p-tolyl)-2-pyridyl]-1,4-diazepane Formula: C29H30N4 MolecularWeight: 434.5753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN=C(C=C2)N3CCCN(CC3)C4=NC=C(C=C4)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN=C(C=C2)N3CCCN(CC3)C4=NC=C(C=C4)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H30N4/c1-22-4-8-24(9-5-22)26-12-14-28(30-20-26)32-16-3-17-33(19-18-32)29-15-13-27(21-31-29)25-10-6-23(2)7-11-25/h4-15,20-21H,3,16-19H2,1-2H3