6-[4-(2-chloranylphenoxy)piperidin-1-yl]-4-heptyl-2H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-[4-(2-chloranylphenoxy)piperidin-1-yl]-4-heptyl-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[4-(2-chlorophenoxy)-1-piperidyl]-4-heptyl-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[4-(2-chlorophenoxy)-1-piperidinyl]-4-heptyl-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[4-(2-chlorophenoxy)piperidin-1-yl]-4-heptyl-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[4-(2-chlorophenoxy)piperidino]-4-heptyl-2H-1,2,4-triazine-3,5-quinone Formula: C21H29ClN4O3 MolecularWeight: 420.93296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C(=NNC1=O)N2CCC(CC2)OC3=CC=CC=C3Cl

Isomeric SMILES

CCCCCCCN1C(=O)C(=NNC1=O)N2CCC(CC2)OC3=CC=CC=C3Cl

InChI

InChI=1S/C21H29ClN4O3/c1-2-3-4-5-8-13-26-20(27)19(23-24-21(26)28)25-14-11-16(12-15-25)29-18-10-7-6-9-17(18)22/h6-7,9-10,16H,2-5,8,11-15H2,1H3,(H,24,28)