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

Systemtic Name: 5-(4-tert-butylphenyl)-1-pyridin-2-yl-1,4-diazepane Openeye Name: 5-(4-tert-butylphenyl)-1-(2-pyridyl)-1,4-diazepane CAS Name: 5-(4-tert-butylphenyl)-1-(2-pyridinyl)-1,4-diazepane IUPAC Name: 5-(4-tert-butylphenyl)-1-pyridin-2-yl-1,4-diazepane Traditional Name: 5-(4-tert-butylphenyl)-1-(2-pyridyl)-1,4-diazepane Formula: C20H27N3 MolecularWeight: 309.44848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2CCN(CCN2)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2CCN(CCN2)C3=CC=CC=N3

InChI

InChI=1S/C20H27N3/c1-20(2,3)17-9-7-16(8-10-17)18-11-14-23(15-13-21-18)19-6-4-5-12-22-19/h4-10,12,18,21H,11,13-15H2,1-3H3