4-methyl-3-[2-[2-[[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]amino]ethyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 4-methyl-3-[2-[2-[[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]amino]ethyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[2-[2-[[3-(2-allylphenoxy)-2-hydroxy-propyl]amino]ethyl]-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[2-[2-[[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]amino]ethyl]-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[2-[2-[[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]amino]ethyl]-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[2-[2-[[3-(2-allylphenoxy)-2-hydroxy-propyl]amino]ethyl]-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(N3)CCNCC(COC4=CC=CC=C4CC=C)O

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(N3)CCNCC(COC4=CC=CC=C4CC=C)O

InChI

InChI=1S/C26H31N5O3/c1-3-6-18-7-4-5-8-23(18)34-16-20(32)15-27-12-11-24-28-21-10-9-19(14-22(21)29-24)26-17(2)13-25(33)30-31-26/h3-5,7-10,14,17,20,27,32H,1,6,11-13,15-16H2,2H3,(H,28,29)(H,30,33)