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1-[5,6-bis(3-propylphenyl)-1,2,4-triazin-3-yl]azepane

1-[5,6-bis(3-propylphenyl)-1,2,4-triazin-3-yl]azepane

Systemtic Name:1-[5,6-bis(3-propylphenyl)-1,2,4-triazin-3-yl]azepane
Openeye Name:1-[5,6-bis(3-propylphenyl)-1,2,4-triazin-3-yl]azepane
CAS Name:1-[5,6-bis(3-propylphenyl)-1,2,4-triazin-3-yl]azepane
IUPAC Name:1-[5,6-bis(3-propylphenyl)-1,2,4-triazin-3-yl]azepane
Traditional Name:1-[5,6-bis(3-propylphenyl)-1,2,4-triazin-3-yl]azepane
Formula: C27H34N4
MolecularWeight: 414.58566
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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1)C2=C(N=NC(=N2)N3CCCCCC3)C4=CC(=CC=C4)CCC


Isomeric SMILES

CCCC1=CC=CC(=C1)C2=C(N=NC(=N2)N3CCCCCC3)C4=CC(=CC=C4)CCC


InChI

InChI=1S/C27H34N4/c1-3-11-21-13-9-15-23(19-21)25-26(24-16-10-14-22(20-24)12-4-2)29-30-27(28-25)31-17-7-5-6-8-18-31/h9-10,13-16,19-20H,3-8,11-12,17-18H2,1-2H3


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