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

Systemtic Name: 1,4-bis[5-(4-tert-butylphenyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1,4-bis[5-(4-tert-butylphenyl)-2-pyridyl]-1,4-diazepane CAS Name: 1,4-bis[5-(4-tert-butylphenyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1,4-bis[5-(4-tert-butylphenyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1,4-bis[5-(4-tert-butylphenyl)-2-pyridyl]-1,4-diazepane Formula: C35H42N4 MolecularWeight: 518.73478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H42N4/c1-34(2,3)30-14-8-26(9-15-30)28-12-18-32(36-24-28)38-20-7-21-39(23-22-38)33-19-13-29(25-37-33)27-10-16-31(17-11-27)35(4,5)6/h8-19,24-25H,7,20-23H2,1-6H3