2-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-4-(piperazin-1-ylmethyl)-1H-pyridazin-3-one

Systemtic Name: 2-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-4-(piperazin-1-ylmethyl)-1H-pyridazin-3-one Openeye Name: 2-[(4-chlorophenyl)methyl]-6-(2,3-dihydrobenzofuran-5-yl)-4-methyl-4-(piperazin-1-ylmethyl)-1H-pyridazin-3-one CAS Name: 2-[(4-chlorophenyl)methyl]-6-(2,3-dihydrobenzofuran-5-yl)-4-methyl-4-(1-piperazinylmethyl)-1H-pyridazin-3-one IUPAC Name: 2-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-4-(piperazin-1-ylmethyl)-1H-pyridazin-3-one Traditional Name: 2-(4-chlorobenzyl)-6-coumaran-5-yl-4-methyl-4-(piperazinomethyl)-1H-pyridazin-3-one Formula: C25H29ClN4O2 MolecularWeight: 452.97636

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(NN(C1=O)CC2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCC4)CN5CCNCC5

Isomeric SMILES

CC1(C=C(NN(C1=O)CC2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCC4)CN5CCNCC5

InChI

InChI=1S/C25H29ClN4O2/c1-25(17-29-11-9-27-10-12-29)15-22(19-4-7-23-20(14-19)8-13-32-23)28-30(24(25)31)16-18-2-5-21(26)6-3-18/h2-7,14-15,27-28H,8-13,16-17H2,1H3