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

Systemtic Name: 2-[[cyclopentyl(cyclopropyl)amino]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[cyclopentyl(cyclopropyl)amino]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[cyclopentyl(cyclopropyl)amino]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[cyclopentyl(cyclopropyl)amino]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[cyclopentyl(cyclopropyl)amino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C21H23N3OS MolecularWeight: 365.49182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C5CC5

Isomeric SMILES

C1CCC(C1)N(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C5CC5

InChI

InChI=1S/C21H23N3OS/c25-21-18-9-4-3-8-17(18)20(19-10-5-13-26-19)22-24(21)14-23(16-11-12-16)15-6-1-2-7-15/h3-5,8-10,13,15-16H,1-2,6-7,11-12,14H2