ethyl 4-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate CAS Name: 4-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=CN=N2)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=CN=N2)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C22H29N5O2/c1-2-29-22(28)27-14-12-26(13-15-27)21-24-20(16-23-25-21)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h8-11,16-17H,2-7,12-15H2,1H3