methyl 4-[2-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]thiazol-4-yl]-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]thiazol-4-yl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C23H23N5O4S MolecularWeight: 465.52482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)OC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)OC

InChI

InChI=1S/C23H23N5O4S/c1-3-4-7-10-28-21(30)16-9-6-5-8-15(16)19(27-28)20(29)26-23-25-18(13-33-23)14-11-17(24-12-14)22(31)32-2/h5-6,8-9,11-13,24H,3-4,7,10H2,1-2H3,(H,25,26,29)