5,6-bis(4-ethylphenyl)-3-[2-(3-methylcyclopentyl)ethyl]-1,2,4-triazine

Systemtic Name: 5,6-bis(4-ethylphenyl)-3-[2-(3-methylcyclopentyl)ethyl]-1,2,4-triazine Openeye Name: 5,6-bis(4-ethylphenyl)-3-[2-(3-methylcyclopentyl)ethyl]-1,2,4-triazine CAS Name: 5,6-bis(4-ethylphenyl)-3-[2-(3-methylcyclopentyl)ethyl]-1,2,4-triazine IUPAC Name: 5,6-bis(4-ethylphenyl)-3-[2-(3-methylcyclopentyl)ethyl]-1,2,4-triazine Traditional Name: 5,6-bis(4-ethylphenyl)-3-[2-(3-methylcyclopentyl)ethyl]-1,2,4-triazine Formula: C27H33N3 MolecularWeight: 399.57102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(N=NC(=N2)CCC3CCC(C3)C)C4=CC=C(C=C4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(N=NC(=N2)CCC3CCC(C3)C)C4=CC=C(C=C4)CC

InChI

InChI=1S/C27H33N3/c1-4-20-8-13-23(14-9-20)26-27(24-15-10-21(5-2)11-16-24)30-29-25(28-26)17-12-22-7-6-19(3)18-22/h8-11,13-16,19,22H,4-7,12,17-18H2,1-3H3