4-(3,4-dimethoxyphenyl)-2-pentyl-4a,5,6,7,8,8a-hexahydrophthalazin-1-one

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-pentyl-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Openeye Name: 4-(3,4-dimethoxyphenyl)-2-pentyl-4a,5,6,7,8,8a-hexahydrophthalazin-1-one CAS Name: 4-(3,4-dimethoxyphenyl)-2-pentyl-4a,5,6,7,8,8a-hexahydrophthalazin-1-one IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-pentyl-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Traditional Name: 2-amyl-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Formula: C21H30N2O3 MolecularWeight: 358.4745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2CCCCC2C(=N1)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCCN1C(=O)C2CCCCC2C(=N1)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H30N2O3/c1-4-5-8-13-23-21(24)17-10-7-6-9-16(17)20(22-23)15-11-12-18(25-2)19(14-15)26-3/h11-12,14,16-17H,4-10,13H2,1-3H3