5-(cyclohexylamino)-6-(4-pentoxyphenyl)-1,2-diazinan-3-one

Systemtic Name: 5-(cyclohexylamino)-6-(4-pentoxyphenyl)-1,2-diazinan-3-one Openeye Name: 5-(cyclohexylamino)-6-(4-pentoxyphenyl)hexahydropyridazin-3-one CAS Name: 5-(cyclohexylamino)-6-(4-pentoxyphenyl)-3-diazinanone IUPAC Name: 5-(cyclohexylamino)-6-(4-pentoxyphenyl)diazinan-3-one Traditional Name: 6-(4-amoxyphenyl)-5-(cyclohexylamino)hexahydropyridazin-3-one Formula: C21H33N3O2 MolecularWeight: 359.50562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2C(CC(=O)NN2)NC3CCCCC3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2C(CC(=O)NN2)NC3CCCCC3

InChI

InChI=1S/C21H33N3O2/c1-2-3-7-14-26-18-12-10-16(11-13-18)21-19(15-20(25)23-24-21)22-17-8-5-4-6-9-17/h10-13,17,19,21-22,24H,2-9,14-15H2,1H3,(H,23,25)