4-(3,4-dimethoxyphenyl)-2-[6-[(phenylmethyl)amino]hexyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-[6-[(phenylmethyl)amino]hexyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Openeye Name: 2-[6-(benzylamino)hexyl]-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one CAS Name: 4-(3,4-dimethoxyphenyl)-2-[6-[(phenylmethyl)amino]hexyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one IUPAC Name: 2-[6-(benzylamino)hexyl]-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Traditional Name: 2-[6-(benzylamino)hexyl]-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Formula: C29H39N3O3 MolecularWeight: 477.63826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CCCC3)CCCCCCNCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CCCC3)CCCCCCNCC4=CC=CC=C4)OC

InChI

InChI=1S/C29H39N3O3/c1-34-26-17-16-23(20-27(26)35-2)28-24-14-8-9-15-25(24)29(33)32(31-28)19-11-4-3-10-18-30-21-22-12-6-5-7-13-22/h5-7,12-13,16-17,20,24-25,30H,3-4,8-11,14-15,18-19,21H2,1-2H3