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

Systemtic Name: 1,4-bis[5-(2,4-dimethylphenyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1,4-bis[5-(2,4-dimethylphenyl)-2-pyridyl]-1,4-diazepane CAS Name: 1,4-bis[5-(2,4-dimethylphenyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1,4-bis[5-(2,4-dimethylphenyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1,4-bis[5-(2,4-dimethylphenyl)-2-pyridyl]-1,4-diazepane Formula: C31H34N4 MolecularWeight: 462.62846

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=C(C=C(C=C5)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H34N4/c1-22-6-10-28(24(3)18-22)26-8-12-30(32-20-26)34-14-5-15-35(17-16-34)31-13-9-27(21-33-31)29-11-7-23(2)19-25(29)4/h6-13,18-21H,5,14-17H2,1-4H3