1,4-bis[5-(2,6-dimethylphenyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1,4-bis[5-(2,6-dimethylphenyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1,4-bis[5-(2,6-dimethylphenyl)-2-pyridyl]-1,4-diazepane CAS Name: 1,4-bis[5-(2,6-dimethylphenyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1,4-bis[5-(2,6-dimethylphenyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1,4-bis[5-(2,6-dimethylphenyl)-2-pyridyl]-1,4-diazepane Formula: C31H34N4 MolecularWeight: 462.62846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=CN=C(C=C2)N3CCCN(CC3)C4=NC=C(C=C4)C5=C(C=CC=C5C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=CN=C(C=C2)N3CCCN(CC3)C4=NC=C(C=C4)C5=C(C=CC=C5C)C

InChI

InChI=1S/C31H34N4/c1-22-8-5-9-23(2)30(22)26-12-14-28(32-20-26)34-16-7-17-35(19-18-34)29-15-13-27(21-33-29)31-24(3)10-6-11-25(31)4/h5-6,8-15,20-21H,7,16-19H2,1-4H3