ethyl 1-[1-(5-phenyl-1,2,4-triazin-3-yl)piperidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(5-phenyl-1,2,4-triazin-3-yl)piperidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[1-(5-phenyl-1,2,4-triazin-3-yl)-4-piperidyl]piperidine-4-carboxylate CAS Name: 1-[1-(5-phenyl-1,2,4-triazin-3-yl)-4-piperidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(5-phenyl-1,2,4-triazin-3-yl)piperidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[1-(5-phenyl-1,2,4-triazin-3-yl)-4-piperidyl]isonipecotic acid ethyl ester Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2CCN(CC2)C3=NC(=CN=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2CCN(CC2)C3=NC(=CN=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N5O2/c1-2-29-21(28)18-8-12-26(13-9-18)19-10-14-27(15-11-19)22-24-20(16-23-25-22)17-6-4-3-5-7-17/h3-7,16,18-19H,2,8-15H2,1H3