5-azanyl-4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]-2-phenyl-1-prop-2-enyl-pyrazol-3-one

Systemtic Name: 5-azanyl-4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]-2-phenyl-1-prop-2-enyl-pyrazol-3-one Openeye Name: 1-allyl-5-amino-4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]-2-phenyl-pyrazol-3-one CAS Name: 5-amino-4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]methyl]-2-phenyl-1-prop-2-enyl-3-pyrazolone IUPAC Name: 5-amino-4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]-2-phenyl-1-prop-2-enylpyrazol-3-one Traditional Name: 1-allyl-5-amino-4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]methyl]-2-phenyl-3-pyrazolin-3-one Formula: C25H29N5O3 MolecularWeight: 447.52946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C(C(=O)N1C2=CC=CC=C2)CN3CCN(CC3)C4=C5C(=CC=C4)OCCO5)N

Isomeric SMILES

C=CCN1C(=C(C(=O)N1C2=CC=CC=C2)CN3CCN(CC3)C4=C5C(=CC=C4)OCCO5)N

InChI

InChI=1S/C25H29N5O3/c1-2-11-29-24(26)20(25(31)30(29)19-7-4-3-5-8-19)18-27-12-14-28(15-13-27)21-9-6-10-22-23(21)33-17-16-32-22/h2-10H,1,11-18,26H2