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

Systemtic Name: 5-(3-methylbutylamino)-6-(4-pentoxyphenyl)-1,2-diazinan-3-one Openeye Name: 5-(isopentylamino)-6-(4-pentoxyphenyl)hexahydropyridazin-3-one CAS Name: 5-(3-methylbutylamino)-6-(4-pentoxyphenyl)-3-diazinanone IUPAC Name: 5-(3-methylbutylamino)-6-(4-pentoxyphenyl)diazinan-3-one Traditional Name: 6-(4-amoxyphenyl)-5-(isoamylamino)hexahydropyridazin-3-one Formula: C20H33N3O2 MolecularWeight: 347.49492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O2/c1-4-5-6-13-25-17-9-7-16(8-10-17)20-18(14-19(24)22-23-20)21-12-11-15(2)3/h7-10,15,18,20-21,23H,4-6,11-14H2,1-3H3,(H,22,24)