2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[cyclopropyl(p-anisyl)amino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C24H23N3O2S MolecularWeight: 417.52332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)CN(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C5CC5

InChI

InChI=1S/C24H23N3O2S/c1-29-19-12-8-17(9-13-19)15-26(18-10-11-18)16-27-24(28)21-6-3-2-5-20(21)23(25-27)22-7-4-14-30-22/h2-9,12-14,18H,10-11,15-16H2,1H3