N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-3-benzyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(4-acetamidophenyl)-2-thiazolyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-benzyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-3-benzyl-4-keto-phthalazine-1-carboxamide Formula: C27H21N5O3S MolecularWeight: 495.55234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H21N5O3S/c1-17(33)28-20-13-11-19(12-14-20)23-16-36-27(29-23)30-25(34)24-21-9-5-6-10-22(21)26(35)32(31-24)15-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,28,33)(H,29,30,34)