2-[[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[(4-allyloxyphenyl)methyl-methyl-amino]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[(4-allyloxybenzyl)-methyl-amino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OCC=C)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

CN(CC1=CC=C(C=C1)OCC=C)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C24H23N3O2S/c1-3-14-29-19-12-10-18(11-13-19)16-26(2)17-27-24(28)21-8-5-4-7-20(21)23(25-27)22-9-6-15-30-22/h3-13,15H,1,14,16-17H2,2H3